1-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)urea

C16H15ClN2O3 — CID 17265364

IUPAC1-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(C(C)=O)cc2)cc1Cl
InChIInChI=1S/C16H15ClN2O3/c1-10(20)11-3-5-12(6-4-11)18-16(21)19-13-7-8-15(22-2)14(17)9-13/h3-9H,1-2H3,(H2,18,19,21)
InChIKeyVHCUTDRCAMNNIS-UHFFFAOYSA-N
MW318.76 g/mol
LogP4.20
Rot. Bonds4

About 1-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)urea

1-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)urea (PubChem CID 17265364) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)urea
PubChem CID17265364
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name1-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(C(C)=O)cc2)cc1Cl
InChIInChI=1S/C16H15ClN2O3/c1-10(20)11-3-5-12(6-4-11)18-16(21)19-13-7-8-15(22-2)14(17)9-13/h3-9H,1-2H3,(H2,18,19,21)
InChIKeyVHCUTDRCAMNNIS-UHFFFAOYSA-N
XLogP4.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylphenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 17270458
1-(4-benzoylphenyl)-3-(3-chloro-4-methoxyphenyl)urea
CID 56695004
1-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)urea
CID 108991931
N-(4-carbamoylphenyl)-N'-(3-chloro-4-methoxyphenyl)oxamide
CID 108501263
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-(4-acetylphenyl)-5-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide
CID 109245028
1-(3-chloro-4-methoxyphenyl)-3-(1,2-oxazol-3-yl)urea
CID 108811787
N-(4-acetylphenyl)-2-(3-chloro-4-methoxyanilino)pyridine-4-carboxamide
CID 109177805
1-(3-chloro-4-methoxyphenyl)-3-(2-sulfanylphenyl)urea
CID 108886279
1-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethylphenyl)urea
CID 108991326
1-(3-chloro-4-methoxyphenyl)-3-[(E)-2,3-dimethylbut-1-enyl]urea
CID 108914572
N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide
CID 1406499

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)urea?
The IUPAC name of 1-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)urea (CID 17265364) is 1-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2ccc(C(C)=O)cc2)cc1Cl.
What is the InChIKey of 1-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)urea?
The InChIKey is VHCUTDRCAMNNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-10(20)11-3-5-12(6-4-11)18-16(21)19-13-7-8-15(22-2)14(17)9-13/h3-9H,1-2H3,(H2,18,19,21).
What are the key properties of 1-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)urea?
1-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)urea has a molecular weight of 318.76 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)urea is sourced from PubChem (CID 17265364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).