1-[2-(3-chlorobenzoyl)phenyl]-3-phenylurea

C20H15ClN2O2 — CID 4738250

IUPAC1-[2-(3-chlorobenzoyl)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccccc1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C20H15ClN2O2/c21-15-8-6-7-14(13-15)19(24)17-11-4-5-12-18(17)23-20(25)22-16-9-2-1-3-10-16/h1-13H,(H2,22,23,25)
InChIKeyOIJDXEFRIKGQIV-UHFFFAOYSA-N
MW350.81 g/mol
LogP5.22
Rot. Bonds4

About 1-[2-(3-chlorobenzoyl)phenyl]-3-phenylurea

1-[2-(3-chlorobenzoyl)phenyl]-3-phenylurea (PubChem CID 4738250) has the molecular formula C20H15ClN2O2 and a molecular weight of 350.81 g/mol. Its IUPAC name is 1-[2-(3-chlorobenzoyl)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(3-chlorobenzoyl)phenyl]-3-phenylurea
PubChem CID4738250
Molecular FormulaC20H15ClN2O2
Molecular Weight350.81 g/mol
Exact Mass350.08
IUPAC Name1-[2-(3-chlorobenzoyl)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccccc1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C20H15ClN2O2/c21-15-8-6-7-14(13-15)19(24)17-11-4-5-12-18(17)23-20(25)22-16-9-2-1-3-10-16/h1-13H,(H2,22,23,25)
InChIKeyOIJDXEFRIKGQIV-UHFFFAOYSA-N
XLogP5.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.81
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-[2-(hydrazinecarbonyl)phenyl]urea
CID 156854116
1-[4-(3-chloroanilino)phenyl]-3-phenylurea
CID 112986987
ethyl 2-[(3-chlorophenyl)carbamoylamino]benzoate
CID 707725
1-[2-(4-chlorobenzoyl)phenyl]-3-phenylthiourea
CID 1235704
N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide
CID 139684594
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]urea
CID 4169533
3,5-dichloro-N-[2-(phenylcarbamoyl)phenyl]benzamide
CID 17133465
3,5-dichloro-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 10971378
1-[2-(aminomethyl)phenyl]-3-(3-chlorophenyl)urea
CID 64896037
ethyl 4-[(2-benzoylphenyl)carbamoylamino]benzoate
CID 46859858
[6-[2-(phenylcarbamoylamino)benzoyl]-1H-benzimidazol-2-yl] N-methylcarbamate
CID 91254377
2-[(5-chloro-2-fluorophenyl)carbamoylamino]benzoic acid
CID 61198828

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorobenzoyl)phenyl]-3-phenylurea?
The IUPAC name of 1-[2-(3-chlorobenzoyl)phenyl]-3-phenylurea (CID 4738250) is 1-[2-(3-chlorobenzoyl)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(3-chlorobenzoyl)phenyl]-3-phenylurea?
The canonical SMILES for 1-[2-(3-chlorobenzoyl)phenyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1ccccc1C(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorobenzoyl)phenyl]-3-phenylurea?
The InChIKey is OIJDXEFRIKGQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O2/c21-15-8-6-7-14(13-15)19(24)17-11-4-5-12-18(17)23-20(25)22-16-9-2-1-3-10-16/h1-13H,(H2,22,23,25).
What are the key properties of 1-[2-(3-chlorobenzoyl)phenyl]-3-phenylurea?
1-[2-(3-chlorobenzoyl)phenyl]-3-phenylurea has a molecular weight of 350.81 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorobenzoyl)phenyl]-3-phenylurea is sourced from PubChem (CID 4738250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).