2-[(2-cyanophenyl)carbamoylamino]benzoic acid

C15H11N3O3 — CID 61189461

IUPAC2-[(2-cyanophenyl)carbamoylamino]benzoic acid
SMILESN#Cc1ccccc1NC(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C15H11N3O3/c16-9-10-5-1-3-7-12(10)17-15(21)18-13-8-4-2-6-11(13)14(19)20/h1-8H,(H,19,20)(H2,17,18,21)
InChIKeyUXZINERYEYHGQC-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.90
Rot. Bonds3

About 2-[(2-cyanophenyl)carbamoylamino]benzoic acid

2-[(2-cyanophenyl)carbamoylamino]benzoic acid (PubChem CID 61189461) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-[(2-cyanophenyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name2-[(2-cyanophenyl)carbamoylamino]benzoic acid
PubChem CID61189461
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name2-[(2-cyanophenyl)carbamoylamino]benzoic acid
SMILESN#Cc1ccccc1NC(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C15H11N3O3/c16-9-10-5-1-3-7-12(10)17-15(21)18-13-8-4-2-6-11(13)14(19)20/h1-8H,(H,19,20)(H2,17,18,21)
InChIKeyUXZINERYEYHGQC-UHFFFAOYSA-N
XLogP2.90
TPSA102.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-cyanophenyl)carbamoylamino]benzoic acid
CID 16792146
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2-[(2-cyanophenyl)methylamino]benzoic acid
CID 107935866
(2-cyanophenyl)urea
CID 13155570
1-(2-cyanophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991418
3-(2-cyanophenyl)-1,1-diphenylurea
CID 3830875
N-(2-cyanophenyl)-3-phenylprop-2-ynamide
CID 6465612
4-[(2-cyanophenyl)carbamoylamino]benzoate
CID 7057070
1-(2-cyanophenyl)-3-(1,2-oxazol-3-yl)urea
CID 108811788
1-(2-cyanophenyl)-3-[4-(trifluoromethyl)phenyl]urea
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1-(5-chloro-2-methylphenyl)-3-(2-cyanophenyl)urea
CID 17180173

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyanophenyl)carbamoylamino]benzoic acid?
The IUPAC name of 2-[(2-cyanophenyl)carbamoylamino]benzoic acid (CID 61189461) is 2-[(2-cyanophenyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 2-[(2-cyanophenyl)carbamoylamino]benzoic acid?
The canonical SMILES for 2-[(2-cyanophenyl)carbamoylamino]benzoic acid is N#Cc1ccccc1NC(=O)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[(2-cyanophenyl)carbamoylamino]benzoic acid?
The InChIKey is UXZINERYEYHGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c16-9-10-5-1-3-7-12(10)17-15(21)18-13-8-4-2-6-11(13)14(19)20/h1-8H,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[(2-cyanophenyl)carbamoylamino]benzoic acid?
2-[(2-cyanophenyl)carbamoylamino]benzoic acid has a molecular weight of 281.27 g/mol, XLogP of 2.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyanophenyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 61189461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).