1-(2-chloro-4-methylphenyl)-3-phenylurea;1-(2-chloro-3-pyridinyl)-3-(2,4-dimethylphenyl)urea;1-(2-fluorophenyl)-3-(4-methylphenyl)urea;1-(3-fluoro-2-pyridinyl)-3-(4-methylphenyl)urea;1-(2-methoxy-4-methylphenyl)-3-(2-methylphenyl)urea;bis(1-(2-methoxyphenyl)-3-(5-methyl-2-pyridinyl)urea);1-(2-methylphenyl)-3-(5-methyl-2-pyridinyl)urea;1-(4-methylphenyl)-3-phenylurea;1-(4-methylphenyl)-3-pyridin-2-ylurea

C140H142Cl2F2N26O13 — CID 157168143

IUPAC1-(2-chloro-4-methylphenyl)-3-phenylurea;1-(2-chloro-3-pyridinyl)-3-(2,4-dimethylphenyl)urea;1-(2-fluorophenyl)-3-(4-methylphenyl)urea;1-(3-fluoro-2-pyridinyl)-3-(4-methylphenyl)urea;1-(2-methoxy-4-methylphenyl)-3-(2-methylphenyl)urea;bis(1-(2-methoxyphenyl)-3-(5-methyl-2-pyridinyl)urea);1-(2-methylphenyl)-3-(5-methyl-2-pyridinyl)urea;1-(4-methylphenyl)-3-phenylurea;1-(4-methylphenyl)-3-pyridin-2-ylurea
SMILESCOc1cc(C)ccc1NC(=O)Nc1ccccc1C.COc1ccccc1NC(=O)Nc1ccc(C)cn1.COc1ccccc1NC(=O)Nc1ccc(C)cn1.Cc1ccc(NC(=O)Nc2ccccc2)c(Cl)c1.Cc1ccc(NC(=O)Nc2ccccc2)cc1.Cc1ccc(NC(=O)Nc2ccccc2C)nc1.Cc1ccc(NC(=O)Nc2ccccc2F)cc1.Cc1ccc(NC(=O)Nc2ccccn2)cc1.Cc1ccc(NC(=O)Nc2cccnc2Cl)c(C)c1.Cc1ccc(NC(=O)Nc2ncccc2F)cc1
InChIInChI=1S/C16H18N2O2.C14H14ClN3O.C14H13ClN2O.C14H13FN2O.2C14H15N3O2.C14H15N3O.C14H14N2O.C13H12FN3O.C13H13N3O/c1-11-8-9-14(15(10-11)20-3)18-16(19)17-13-7-5-4-6-12(13)2;1-9-5-6-11(10(2)8-9)17-14(19)18-12-4-3-7-16-13(12)15;1-10-7-8-13(12(15)9-10)17-14(18)16-11-5-3-2-4-6-11;1-10-6-8-11(9-7-10)16-14(18)17-13-5-3-2-4-12(13)15;2*1-10-7-8-13(15-9-10)17-14(18)16-11-5-3-4-6-12(11)19-2;1-10-7-8-13(15-9-10)17-14(18)16-12-6-4-3-5-11(12)2;1-11-7-9-13(10-8-11)16-14(17)15-12-5-3-2-4-6-12;1-9-4-6-10(7-5-9)16-13(18)17-12-11(14)3-2-8-15-12;1-10-5-7-11(8-6-10)15-13(17)16-12-4-2-3-9-14-12/h4-10H,1-3H3,(H2,17,18,19);3-8H,1-2H3,(H2,17,18,19);2*2-9H,1H3,(H2,16,17,18);2*3-9H,1-2H3,(H2,15,16,17,18);3-9H,1-2H3,(H2,15,16,17,18);2-10H,1H3,(H2,15,16,17);2-8H,1H3,(H2,15,16,17,18);2-9H,1H3,(H2,14,15,16,17)
InChIKeyANDQNYKHSLVIMT-UHFFFAOYSA-N
MW2505.75 g/mol
LogP35.30
Rot. Bonds23

About 1-(2-chloro-4-methylphenyl)-3-phenylurea;1-(2-chloro-3-pyridinyl)-3-(2,4-dimethylphenyl)urea;1-(2-fluorophenyl)-3-(4-methylphenyl)urea;1-(3-fluoro-2-pyridinyl)-3-(4-methylphenyl)urea;1-(2-methoxy-4-methylphenyl)-3-(2-methylphenyl)urea;bis(1-(2-methoxyphenyl)-3-(5-methyl-2-pyridinyl)urea);1-(2-methylphenyl)-3-(5-methyl-2-pyridinyl)urea;1-(4-methylphenyl)-3-phenylurea;1-(4-methylphenyl)-3-pyridin-2-ylurea

1-(2-chloro-4-methylphenyl)-3-phenylurea;1-(2-chloro-3-pyridinyl)-3-(2,4-dimethylphenyl)urea;1-(2-fluorophenyl)-3-(4-methylphenyl)urea;1-(3-fluoro-2-pyridinyl)-3-(4-methylphenyl)urea;1-(2-methoxy-4-methylphenyl)-3-(2-methylphenyl)urea;bis(1-(2-methoxyphenyl)-3-(5-methyl-2-pyridinyl)urea);1-(2-methylphenyl)-3-(5-methyl-2-pyridinyl)urea;1-(4-methylphenyl)-3-phenylurea;1-(4-methylphenyl)-3-pyridin-2-ylurea (PubChem CID 157168143) has the molecular formula C140H142Cl2F2N26O13 and a molecular weight of 2505.75 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-3-phenylurea;1-(2-chloro-3-pyridinyl)-3-(2,4-dimethylphenyl)urea;1-(2-fluorophenyl)-3-(4-methylphenyl)urea;1-(3-fluoro-2-pyridinyl)-3-(4-methylphenyl)urea;1-(2-methoxy-4-methylphenyl)-3-(2-methylphenyl)urea;bis(1-(2-methoxyphenyl)-3-(5-methyl-2-pyridinyl)urea);1-(2-methylphenyl)-3-(5-methyl-2-pyridinyl)urea;1-(4-methylphenyl)-3-phenylurea;1-(4-methylphenyl)-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-3-phenylurea;1-(2-chloro-3-pyridinyl)-3-(2,4-dimethylphenyl)urea;1-(2-fluorophenyl)-3-(4-methylphenyl)urea;1-(3-fluoro-2-pyridinyl)-3-(4-methylphenyl)urea;1-(2-methoxy-4-methylphenyl)-3-(2-methylphenyl)urea;bis(1-(2-methoxyphenyl)-3-(5-methyl-2-pyridinyl)urea);1-(2-methylphenyl)-3-(5-methyl-2-pyridinyl)urea;1-(4-methylphenyl)-3-phenylurea;1-(4-methylphenyl)-3-pyridin-2-ylurea
PubChem CID157168143
Molecular FormulaC140H142Cl2F2N26O13
Molecular Weight2505.75 g/mol
Exact Mass2503.06
IUPAC Name1-(2-chloro-4-methylphenyl)-3-phenylurea;1-(2-chloro-3-pyridinyl)-3-(2,4-dimethylphenyl)urea;1-(2-fluorophenyl)-3-(4-methylphenyl)urea;1-(3-fluoro-2-pyridinyl)-3-(4-methylphenyl)urea;1-(2-methoxy-4-methylphenyl)-3-(2-methylphenyl)urea;bis(1-(2-methoxyphenyl)-3-(5-methyl-2-pyridinyl)urea);1-(2-methylphenyl)-3-(5-methyl-2-pyridinyl)urea;1-(4-methylphenyl)-3-phenylurea;1-(4-methylphenyl)-3-pyridin-2-ylurea
SMILESCOc1cc(C)ccc1NC(=O)Nc1ccccc1C.COc1ccccc1NC(=O)Nc1ccc(C)cn1.COc1ccccc1NC(=O)Nc1ccc(C)cn1.Cc1ccc(NC(=O)Nc2ccccc2)c(Cl)c1.Cc1ccc(NC(=O)Nc2ccccc2)cc1.Cc1ccc(NC(=O)Nc2ccccc2C)nc1.Cc1ccc(NC(=O)Nc2ccccc2F)cc1.Cc1ccc(NC(=O)Nc2ccccn2)cc1.Cc1ccc(NC(=O)Nc2cccnc2Cl)c(C)c1.Cc1ccc(NC(=O)Nc2ncccc2F)cc1
InChIInChI=1S/C16H18N2O2.C14H14ClN3O.C14H13ClN2O.C14H13FN2O.2C14H15N3O2.C14H15N3O.C14H14N2O.C13H12FN3O.C13H13N3O/c1-11-8-9-14(15(10-11)20-3)18-16(19)17-13-7-5-4-6-12(13)2;1-9-5-6-11(10(2)8-9)17-14(19)18-12-4-3-7-16-13(12)15;1-10-7-8-13(12(15)9-10)17-14(18)16-11-5-3-2-4-6-11;1-10-6-8-11(9-7-10)16-14(18)17-13-5-3-2-4-12(13)15;2*1-10-7-8-13(15-9-10)17-14(18)16-11-5-3-4-6-12(11)19-2;1-10-7-8-13(15-9-10)17-14(18)16-12-6-4-3-5-11(12)2;1-11-7-9-13(10-8-11)16-14(17)15-12-5-3-2-4-6-12;1-9-4-6-10(7-5-9)16-13(18)17-12-11(14)3-2-8-15-12;1-10-5-7-11(8-6-10)15-13(17)16-12-4-2-3-9-14-12/h4-10H,1-3H3,(H2,17,18,19);3-8H,1-2H3,(H2,17,18,19);2*2-9H,1H3,(H2,16,17,18);2*3-9H,1-2H3,(H2,15,16,17,18);3-9H,1-2H3,(H2,15,16,17,18);2-10H,1H3,(H2,15,16,17);2-8H,1H3,(H2,15,16,17,18);2-9H,1H3,(H2,14,15,16,17)
InChIKeyANDQNYKHSLVIMT-UHFFFAOYSA-N
XLogP35.30
TPSA516.33 Ų
H-Bond Donors20
H-Bond Acceptors19
Rotatable Bonds23
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002505.75
LogP ≤ 535.30
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-(2-chloro-4-methylphenyl)-3-phenylurea;1-(2-chloro-3-pyridinyl)-3-(2,4-dimethylphenyl)urea;1-(2-fluorophenyl)-3-(4-methylphenyl)urea;1-(3-fluoro-2-pyridinyl)-3-(4-methylphenyl)urea;1-(2-methoxy-4-methylphenyl)-3-(2-methylphenyl)urea;bis(1-(2-methoxyphenyl)-3-(5-methyl-2-pyridinyl)urea);1-(2-methylphenyl)-3-(5-methyl-2-pyridinyl)urea;1-(4-methylphenyl)-3-phenylurea;1-(4-methylphenyl)-3-pyridin-2-ylurea with MolForge

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Related Compounds

1-(3-fluoro-2-pyridinyl)-3-(5-methyl-2-pyridinyl)urea
CID 18682339
1-(4-chloro-2-methoxyphenyl)-3-pyridin-2-ylurea
CID 51062921
1-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]-3-phenylurea
CID 113022483
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
CID 46860275
2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-carboxamide
CID 61042493
1-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-phenylurea
CID 113034717
N-(2-fluorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109198831
methyl 5-chloro-2-methoxy-4-(pyridin-2-ylcarbamoylamino)benzoate
CID 110492036
1-(5-chloro-2-pyridinyl)-3-(2-fluorophenyl)urea
CID 901016
1-(2-methoxyphenyl)-3-(2-methoxypyrimidin-5-yl)urea
CID 71799842
N-(2,4-dimethylphenyl)-5-(2-fluoroanilino)pyridine-2-carboxamide
CID 109197955
1-(4-amino-2-methoxyphenyl)-3-(2-fluorophenyl)urea
CID 16777814

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-3-phenylurea;1-(2-chloro-3-pyridinyl)-3-(2,4-dimethylphenyl)urea;1-(2-fluorophenyl)-3-(4-methylphenyl)urea;1-(3-fluoro-2-pyridinyl)-3-(4-methylphenyl)urea;1-(2-methoxy-4-methylphenyl)-3-(2-methylphenyl)urea;bis(1-(2-methoxyphenyl)-3-(5-methyl-2-pyridinyl)urea);1-(2-methylphenyl)-3-(5-methyl-2-pyridinyl)urea;1-(4-methylphenyl)-3-phenylurea;1-(4-methylphenyl)-3-pyridin-2-ylurea?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-3-phenylurea;1-(2-chloro-3-pyridinyl)-3-(2,4-dimethylphenyl)urea;1-(2-fluorophenyl)-3-(4-methylphenyl)urea;1-(3-fluoro-2-pyridinyl)-3-(4-methylphenyl)urea;1-(2-methoxy-4-methylphenyl)-3-(2-methylphenyl)urea;bis(1-(2-methoxyphenyl)-3-(5-methyl-2-pyridinyl)urea);1-(2-methylphenyl)-3-(5-methyl-2-pyridinyl)urea;1-(4-methylphenyl)-3-phenylurea;1-(4-methylphenyl)-3-pyridin-2-ylurea (CID 157168143) is 1-(2-chloro-4-methylphenyl)-3-phenylurea;1-(2-chloro-3-pyridinyl)-3-(2,4-dimethylphenyl)urea;1-(2-fluorophenyl)-3-(4-methylphenyl)urea;1-(3-fluoro-2-pyridinyl)-3-(4-methylphenyl)urea;1-(2-methoxy-4-methylphenyl)-3-(2-methylphenyl)urea;bis(1-(2-methoxyphenyl)-3-(5-methyl-2-pyridinyl)urea);1-(2-methylphenyl)-3-(5-methyl-2-pyridinyl)urea;1-(4-methylphenyl)-3-phenylurea;1-(4-methylphenyl)-3-pyridin-2-ylurea.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-3-phenylurea;1-(2-chloro-3-pyridinyl)-3-(2,4-dimethylphenyl)urea;1-(2-fluorophenyl)-3-(4-methylphenyl)urea;1-(3-fluoro-2-pyridinyl)-3-(4-methylphenyl)urea;1-(2-methoxy-4-methylphenyl)-3-(2-methylphenyl)urea;bis(1-(2-methoxyphenyl)-3-(5-methyl-2-pyridinyl)urea);1-(2-methylphenyl)-3-(5-methyl-2-pyridinyl)urea;1-(4-methylphenyl)-3-phenylurea;1-(4-methylphenyl)-3-pyridin-2-ylurea?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-3-phenylurea;1-(2-chloro-3-pyridinyl)-3-(2,4-dimethylphenyl)urea;1-(2-fluorophenyl)-3-(4-methylphenyl)urea;1-(3-fluoro-2-pyridinyl)-3-(4-methylphenyl)urea;1-(2-methoxy-4-methylphenyl)-3-(2-methylphenyl)urea;bis(1-(2-methoxyphenyl)-3-(5-methyl-2-pyridinyl)urea);1-(2-methylphenyl)-3-(5-methyl-2-pyridinyl)urea;1-(4-methylphenyl)-3-phenylurea;1-(4-methylphenyl)-3-pyridin-2-ylurea is COc1cc(C)ccc1NC(=O)Nc1ccccc1C.COc1ccccc1NC(=O)Nc1ccc(C)cn1.COc1ccccc1NC(=O)Nc1ccc(C)cn1.Cc1ccc(NC(=O)Nc2ccccc2)c(Cl)c1.Cc1ccc(NC(=O)Nc2ccccc2)cc1.Cc1ccc(NC(=O)Nc2ccccc2C)nc1.Cc1ccc(NC(=O)Nc2ccccc2F)cc1.Cc1ccc(NC(=O)Nc2ccccn2)cc1.Cc1ccc(NC(=O)Nc2cccnc2Cl)c(C)c1.Cc1ccc(NC(=O)Nc2ncccc2F)cc1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-3-phenylurea;1-(2-chloro-3-pyridinyl)-3-(2,4-dimethylphenyl)urea;1-(2-fluorophenyl)-3-(4-methylphenyl)urea;1-(3-fluoro-2-pyridinyl)-3-(4-methylphenyl)urea;1-(2-methoxy-4-methylphenyl)-3-(2-methylphenyl)urea;bis(1-(2-methoxyphenyl)-3-(5-methyl-2-pyridinyl)urea);1-(2-methylphenyl)-3-(5-methyl-2-pyridinyl)urea;1-(4-methylphenyl)-3-phenylurea;1-(4-methylphenyl)-3-pyridin-2-ylurea?
The InChIKey is ANDQNYKHSLVIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2.C14H14ClN3O.C14H13ClN2O.C14H13FN2O.2C14H15N3O2.C14H15N3O.C14H14N2O.C13H12FN3O.C13H13N3O/c1-11-8-9-14(15(10-11)20-3)18-16(19)17-13-7-5-4-6-12(13)2;1-9-5-6-11(10(2)8-9)17-14(19)18-12-4-3-7-16-13(12)15;1-10-7-8-13(12(15)9-10)17-14(18)16-11-5-3-2-4-6-11;1-10-6-8-11(9-7-10)16-14(18)17-13-5-3-2-4-12(13)15;2*1-10-7-8-13(15-9-10)17-14(18)16-11-5-3-4-6-12(11)19-2;1-10-7-8-13(15-9-10)17-14(18)16-12-6-4-3-5-11(12)2;1-11-7-9-13(10-8-11)16-14(17)15-12-5-3-2-4-6-12;1-9-4-6-10(7-5-9)16-13(18)17-12-11(14)3-2-8-15-12;1-10-5-7-11(8-6-10)15-13(17)16-12-4-2-3-9-14-12/h4-10H,1-3H3,(H2,17,18,19);3-8H,1-2H3,(H2,17,18,19);2*2-9H,1H3,(H2,16,17,18);2*3-9H,1-2H3,(H2,15,16,17,18);3-9H,1-2H3,(H2,15,16,17,18);2-10H,1H3,(H2,15,16,17);2-8H,1H3,(H2,15,16,17,18);2-9H,1H3,(H2,14,15,16,17).
What are the key properties of 1-(2-chloro-4-methylphenyl)-3-phenylurea;1-(2-chloro-3-pyridinyl)-3-(2,4-dimethylphenyl)urea;1-(2-fluorophenyl)-3-(4-methylphenyl)urea;1-(3-fluoro-2-pyridinyl)-3-(4-methylphenyl)urea;1-(2-methoxy-4-methylphenyl)-3-(2-methylphenyl)urea;bis(1-(2-methoxyphenyl)-3-(5-methyl-2-pyridinyl)urea);1-(2-methylphenyl)-3-(5-methyl-2-pyridinyl)urea;1-(4-methylphenyl)-3-phenylurea;1-(4-methylphenyl)-3-pyridin-2-ylurea?
1-(2-chloro-4-methylphenyl)-3-phenylurea;1-(2-chloro-3-pyridinyl)-3-(2,4-dimethylphenyl)urea;1-(2-fluorophenyl)-3-(4-methylphenyl)urea;1-(3-fluoro-2-pyridinyl)-3-(4-methylphenyl)urea;1-(2-methoxy-4-methylphenyl)-3-(2-methylphenyl)urea;bis(1-(2-methoxyphenyl)-3-(5-methyl-2-pyridinyl)urea);1-(2-methylphenyl)-3-(5-methyl-2-pyridinyl)urea;1-(4-methylphenyl)-3-phenylurea;1-(4-methylphenyl)-3-pyridin-2-ylurea has a molecular weight of 2505.75 g/mol, XLogP of 35.30, 23 rotatable bonds, 20 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-3-phenylurea;1-(2-chloro-3-pyridinyl)-3-(2,4-dimethylphenyl)urea;1-(2-fluorophenyl)-3-(4-methylphenyl)urea;1-(3-fluoro-2-pyridinyl)-3-(4-methylphenyl)urea;1-(2-methoxy-4-methylphenyl)-3-(2-methylphenyl)urea;bis(1-(2-methoxyphenyl)-3-(5-methyl-2-pyridinyl)urea);1-(2-methylphenyl)-3-(5-methyl-2-pyridinyl)urea;1-(4-methylphenyl)-3-phenylurea;1-(4-methylphenyl)-3-pyridin-2-ylurea is sourced from PubChem (CID 157168143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).