1-[2-(2,4-dichlorophenyl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)urea

C24H24Cl2N2O2 — CID 42709110

IUPAC1-[2-(2,4-dichlorophenyl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)urea
SMILESCOc1ccccc1CN(CCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C24H24Cl2N2O2/c1-17-7-11-21(12-8-17)27-24(29)28(16-19-5-3-4-6-23(19)30-2)14-13-18-9-10-20(25)15-22(18)26/h3-12,15H,13-14,16H2,1-2H3,(H,27,29)
InChIKeyATHGOLJTMMXURN-UHFFFAOYSA-N
MW443.37 g/mol
LogP6.59
Rot. Bonds7

About 1-[2-(2,4-dichlorophenyl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)urea

1-[2-(2,4-dichlorophenyl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)urea (PubChem CID 42709110) has the molecular formula C24H24Cl2N2O2 and a molecular weight of 443.37 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)urea
PubChem CID42709110
Molecular FormulaC24H24Cl2N2O2
Molecular Weight443.37 g/mol
Exact Mass442.12
IUPAC Name1-[2-(2,4-dichlorophenyl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)urea
SMILESCOc1ccccc1CN(CCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C24H24Cl2N2O2/c1-17-7-11-21(12-8-17)27-24(29)28(16-19-5-3-4-6-23(19)30-2)14-13-18-9-10-20(25)15-22(18)26/h3-12,15H,13-14,16H2,1-2H3,(H,27,29)
InChIKeyATHGOLJTMMXURN-UHFFFAOYSA-N
XLogP6.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.37
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]pentanamide
CID 42709089
3-(4-chloro-3-fluorophenyl)-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea
CID 55819798
3-(4-chlorophenyl)-1-[(2-methoxyphenyl)methyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1449582
1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 4059568
1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-(3-methylphenyl)urea
CID 42695524
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-methylphenyl)acetamide
CID 113164552
(E)-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]-3-(4-nitrophenyl)prop-2-enamide
CID 42709104
1-(1,3-benzodioxol-5-ylmethyl)-1-[2-(2,4-dichlorophenyl)ethyl]-3-phenylurea
CID 42724352
1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-methylphenyl)-1-(pyridin-2-ylmethyl)urea
CID 42709458
3-(3,4-dichlorophenyl)-1-(3-imidazol-1-ylpropyl)-1-[(2-methoxyphenyl)methyl]urea
CID 4204238
2-(2,4-dichlorophenyl)-N-(4-methylphenyl)acetamide
CID 2712173
1-[2-(2,4-dichlorophenyl)ethyl]-3-(4-ethoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea
CID 6107010

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)urea (CID 42709110) is 1-[2-(2,4-dichlorophenyl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)urea is COc1ccccc1CN(CCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)urea?
The InChIKey is ATHGOLJTMMXURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O2/c1-17-7-11-21(12-8-17)27-24(29)28(16-19-5-3-4-6-23(19)30-2)14-13-18-9-10-20(25)15-22(18)26/h3-12,15H,13-14,16H2,1-2H3,(H,27,29).
What are the key properties of 1-[2-(2,4-dichlorophenyl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)urea?
1-[2-(2,4-dichlorophenyl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)urea has a molecular weight of 443.37 g/mol, XLogP of 6.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 42709110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).