1-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethylphenyl)urea

C16H17ClN2O2 — CID 108991326

IUPAC1-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2cc(C)ccc2C)cc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-10-4-5-11(2)14(8-10)19-16(20)18-12-6-7-15(21-3)13(17)9-12/h4-9H,1-3H3,(H2,18,19,20)
InChIKeyANTJGFAKIULIEI-UHFFFAOYSA-N
MW304.78 g/mol
LogP4.61
Rot. Bonds3

About 1-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethylphenyl)urea

1-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethylphenyl)urea (PubChem CID 108991326) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethylphenyl)urea
PubChem CID108991326
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name1-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2cc(C)ccc2C)cc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-10-4-5-11(2)14(8-10)19-16(20)18-12-6-7-15(21-3)13(17)9-12/h4-9H,1-3H3,(H2,18,19,20)
InChIKeyANTJGFAKIULIEI-UHFFFAOYSA-N
XLogP4.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-N'-(2,4-dimethylphenyl)oxamide
CID 44999396
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109335722
1-(3-chloro-4-methoxyphenyl)-3-(2-sulfanylphenyl)urea
CID 108886279
1-(5-tert-butyl-2-methoxyphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 17298469
1-(3-chloro-4-methylphenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 51046150
methyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate
CID 108991935
1-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)urea
CID 17265364
1-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea
CID 17284854
2-(3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide
CID 9101796
ethyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate
CID 108991960
1-N-(3-chloro-4-methoxyphenyl)-1-N'-(5-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982684

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethylphenyl)urea?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethylphenyl)urea (CID 108991326) is 1-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethylphenyl)urea.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethylphenyl)urea?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethylphenyl)urea is COc1ccc(NC(=O)Nc2cc(C)ccc2C)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethylphenyl)urea?
The InChIKey is ANTJGFAKIULIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-10-4-5-11(2)14(8-10)19-16(20)18-12-6-7-15(21-3)13(17)9-12/h4-9H,1-3H3,(H2,18,19,20).
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethylphenyl)urea?
1-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethylphenyl)urea has a molecular weight of 304.78 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethylphenyl)urea is sourced from PubChem (CID 108991326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).