4-[(2-cyanophenyl)carbamoylamino]benzoate

C15H10N3O3- — CID 7057070

IUPAC4-[(2-cyanophenyl)carbamoylamino]benzoate
SMILESN#Cc1ccccc1NC(=O)Nc1ccc(C(=O)[O-])cc1
InChIInChI=1S/C15H11N3O3/c16-9-11-3-1-2-4-13(11)18-15(21)17-12-7-5-10(6-8-12)14(19)20/h1-8H,(H,19,20)(H2,17,18,21)/p-1
InChIKeyMFSSVCZYXFJYSR-UHFFFAOYSA-M
MW280.26 g/mol
LogP1.57
Rot. Bonds3

About 4-[(2-cyanophenyl)carbamoylamino]benzoate

4-[(2-cyanophenyl)carbamoylamino]benzoate (PubChem CID 7057070) has the molecular formula C15H10N3O3- and a molecular weight of 280.26 g/mol. Its IUPAC name is 4-[(2-cyanophenyl)carbamoylamino]benzoate.

Molecular Properties

Compound Name4-[(2-cyanophenyl)carbamoylamino]benzoate
PubChem CID7057070
Molecular FormulaC15H10N3O3-
Molecular Weight280.26 g/mol
Exact Mass280.07
IUPAC Name4-[(2-cyanophenyl)carbamoylamino]benzoate
SMILESN#Cc1ccccc1NC(=O)Nc1ccc(C(=O)[O-])cc1
InChIInChI=1S/C15H11N3O3/c16-9-11-3-1-2-4-13(11)18-15(21)17-12-7-5-10(6-8-12)14(19)20/h1-8H,(H,19,20)(H2,17,18,21)/p-1
InChIKeyMFSSVCZYXFJYSR-UHFFFAOYSA-M
XLogP1.57
TPSA105.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[(2-cyanophenyl)carbamoylamino]benzoic acid
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4-N-(2-cyanophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
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N-(4-carbamoylphenyl)-N'-(2-cyanophenyl)oxamide
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1-(2-cyanophenyl)-3-(2-phenylphenyl)urea
CID 102229386
N'-(2-cyanophenyl)-N-(4-cyanophenyl)oxamide
CID 108501554
1-(2-cyanophenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108992543
(2-cyanophenyl)urea
CID 13155570
N-(4-chlorophenyl)-N'-(2-cyanophenyl)oxamide
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1-(2-cyanophenyl)-3-(2,6-dimethylphenyl)urea
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CID 109101022

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyanophenyl)carbamoylamino]benzoate?
The IUPAC name of 4-[(2-cyanophenyl)carbamoylamino]benzoate (CID 7057070) is 4-[(2-cyanophenyl)carbamoylamino]benzoate.
What is the SMILES notation for 4-[(2-cyanophenyl)carbamoylamino]benzoate?
The canonical SMILES for 4-[(2-cyanophenyl)carbamoylamino]benzoate is N#Cc1ccccc1NC(=O)Nc1ccc(C(=O)[O-])cc1.
What is the InChIKey of 4-[(2-cyanophenyl)carbamoylamino]benzoate?
The InChIKey is MFSSVCZYXFJYSR-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H11N3O3/c16-9-11-3-1-2-4-13(11)18-15(21)17-12-7-5-10(6-8-12)14(19)20/h1-8H,(H,19,20)(H2,17,18,21)/p-1.
What are the key properties of 4-[(2-cyanophenyl)carbamoylamino]benzoate?
4-[(2-cyanophenyl)carbamoylamino]benzoate has a molecular weight of 280.26 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyanophenyl)carbamoylamino]benzoate is sourced from PubChem (CID 7057070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).