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

C21H17ClN2O3 — CID 56695004

IUPAC1-(4-benzoylphenyl)-3-(3-chloro-4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(C(=O)c3ccccc3)cc2)cc1Cl
InChIInChI=1S/C21H17ClN2O3/c1-27-19-12-11-17(13-18(19)22)24-21(26)23-16-9-7-15(8-10-16)20(25)14-5-3-2-4-6-14/h2-13H,1H3,(H2,23,24,26)
InChIKeySKCGPWOSWVZYID-UHFFFAOYSA-N
MW380.83 g/mol
LogP5.22
Rot. Bonds5

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

1-(4-benzoylphenyl)-3-(3-chloro-4-methoxyphenyl)urea (PubChem CID 56695004) has the molecular formula C21H17ClN2O3 and a molecular weight of 380.83 g/mol. Its IUPAC name is 1-(4-benzoylphenyl)-3-(3-chloro-4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(4-benzoylphenyl)-3-(3-chloro-4-methoxyphenyl)urea
PubChem CID56695004
Molecular FormulaC21H17ClN2O3
Molecular Weight380.83 g/mol
Exact Mass380.09
IUPAC Name1-(4-benzoylphenyl)-3-(3-chloro-4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(C(=O)c3ccccc3)cc2)cc1Cl
InChIInChI=1S/C21H17ClN2O3/c1-27-19-12-11-17(13-18(19)22)24-21(26)23-16-9-7-15(8-10-16)20(25)14-5-3-2-4-6-14/h2-13H,1H3,(H2,23,24,26)
InChIKeySKCGPWOSWVZYID-UHFFFAOYSA-N
XLogP5.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.83
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)urea
CID 17265364
1-(3-chloro-4-methoxyphenyl)-3-(2-sulfanylphenyl)urea
CID 108886279
N-(3-chloro-4-methoxyphenyl)-2-(phenylcarbamoylamino)propanamide
CID 51143820
methyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate
CID 108991935
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-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]benzamide
CID 2712885
1-(3-chloro-4-methoxyphenyl)-3-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]urea
CID 46392848
(2R)-2-chloro-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 2392261
1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38158814
1-(3-chloro-4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2632843

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzoylphenyl)-3-(3-chloro-4-methoxyphenyl)urea?
The IUPAC name of 1-(4-benzoylphenyl)-3-(3-chloro-4-methoxyphenyl)urea (CID 56695004) is 1-(4-benzoylphenyl)-3-(3-chloro-4-methoxyphenyl)urea.
What is the SMILES notation for 1-(4-benzoylphenyl)-3-(3-chloro-4-methoxyphenyl)urea?
The canonical SMILES for 1-(4-benzoylphenyl)-3-(3-chloro-4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2ccc(C(=O)c3ccccc3)cc2)cc1Cl.
What is the InChIKey of 1-(4-benzoylphenyl)-3-(3-chloro-4-methoxyphenyl)urea?
The InChIKey is SKCGPWOSWVZYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O3/c1-27-19-12-11-17(13-18(19)22)24-21(26)23-16-9-7-15(8-10-16)20(25)14-5-3-2-4-6-14/h2-13H,1H3,(H2,23,24,26).
What are the key properties of 1-(4-benzoylphenyl)-3-(3-chloro-4-methoxyphenyl)urea?
1-(4-benzoylphenyl)-3-(3-chloro-4-methoxyphenyl)urea has a molecular weight of 380.83 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoylphenyl)-3-(3-chloro-4-methoxyphenyl)urea is sourced from PubChem (CID 56695004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).