3-[(4-chlorophenyl)carbamoylamino]benzamide

C14H12ClN3O2 — CID 794912

IUPAC3-[(4-chlorophenyl)carbamoylamino]benzamide
SMILESNC(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H12ClN3O2/c15-10-4-6-11(7-5-10)17-14(20)18-12-3-1-2-9(8-12)13(16)19/h1-8H,(H2,16,19)(H2,17,18,20)
InChIKeyOXNMRMBSZIPWFI-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.08
Rot. Bonds3

About 3-[(4-chlorophenyl)carbamoylamino]benzamide

3-[(4-chlorophenyl)carbamoylamino]benzamide (PubChem CID 794912) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)carbamoylamino]benzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)carbamoylamino]benzamide
PubChem CID794912
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name3-[(4-chlorophenyl)carbamoylamino]benzamide
SMILESNC(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H12ClN3O2/c15-10-4-6-11(7-5-10)17-14(20)18-12-3-1-2-9(8-12)13(16)19/h1-8H,(H2,16,19)(H2,17,18,20)
InChIKeyOXNMRMBSZIPWFI-UHFFFAOYSA-N
XLogP3.08
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

Diflubenzuron
CID 37123
Teflubenzuron
CID 91734
2-Chloro-5-nitrobenzanilide
CID 644213
3-Aminobenzanilide
CID 84347
Benzamide, N-(4-chlorophenyl)-
CID 96646
N-(3-Chlorophenyl)benzamide
CID 95833
N-(2-Chlorophenyl)benzamide
CID 13918
Benzamide, N-(3,4-dichlorophenyl)-
CID 82516
N-(4-Acetylphenyl)-N'-(3-chlorophenyl)urea
CID 734393
3'-Chloro-M-toluanilide
CID 531963
Clanfenur
CID 68684
1-Benzoyl-3-phenylurea
CID 74566

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)carbamoylamino]benzamide?
The IUPAC name of 3-[(4-chlorophenyl)carbamoylamino]benzamide (CID 794912) is 3-[(4-chlorophenyl)carbamoylamino]benzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)carbamoylamino]benzamide?
The canonical SMILES for 3-[(4-chlorophenyl)carbamoylamino]benzamide is NC(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)carbamoylamino]benzamide?
The InChIKey is OXNMRMBSZIPWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c15-10-4-6-11(7-5-10)17-14(20)18-12-3-1-2-9(8-12)13(16)19/h1-8H,(H2,16,19)(H2,17,18,20).
What are the key properties of 3-[(4-chlorophenyl)carbamoylamino]benzamide?
3-[(4-chlorophenyl)carbamoylamino]benzamide has a molecular weight of 289.72 g/mol, XLogP of 3.08, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)carbamoylamino]benzamide is sourced from PubChem (CID 794912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).