2-(4-aminophenyl)-6-carbamoylbenzoic acid

C14H12N2O3 — CID 158760477

IUPAC2-(4-aminophenyl)-6-carbamoylbenzoic acid
SMILESNC(=O)c1cccc(-c2ccc(N)cc2)c1C(=O)O
InChIInChI=1S/C14H12N2O3/c15-9-6-4-8(5-7-9)10-2-1-3-11(13(16)17)12(10)14(18)19/h1-7H,15H2,(H2,16,17)(H,18,19)
InChIKeyIOPHEUAYPVZISR-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.73
Rot. Bonds3

About 2-(4-aminophenyl)-6-carbamoylbenzoic acid

2-(4-aminophenyl)-6-carbamoylbenzoic acid (PubChem CID 158760477) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-(4-aminophenyl)-6-carbamoylbenzoic acid.

Molecular Properties

Compound Name2-(4-aminophenyl)-6-carbamoylbenzoic acid
PubChem CID158760477
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name2-(4-aminophenyl)-6-carbamoylbenzoic acid
SMILESNC(=O)c1cccc(-c2ccc(N)cc2)c1C(=O)O
InChIInChI=1S/C14H12N2O3/c15-9-6-4-8(5-7-9)10-2-1-3-11(13(16)17)12(10)14(18)19/h1-7H,15H2,(H2,16,17)(H,18,19)
InChIKeyIOPHEUAYPVZISR-UHFFFAOYSA-N
XLogP1.73
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenyl)phthalic acid
CID 150193527
3-(4-hydroxyphenyl)phthalic acid
CID 45486596
3-phenylphthalic acid;dihydrobromide
CID 67683459
3-[6-(2,3-dicarbamoylphenyl)naphthalen-2-yl]benzene-1,2-dicarboxamide
CID 151510869
5-amino-2-(4-aminophenyl)benzamide
CID 68787804
2-benzoyl-6-phenylbenzoic acid
CID 174388121
anthracene;3-phenylphthalic acid
CID 161382372
2-carbamoyl-3-phenylbenzoic acid;ethanamine
CID 175433924
2,6-bis(4-methylphenyl)benzamide
CID 11301076
benzoic acid;2-phenylbenzamide
CID 70205361
3-[4-[9-[4-(2,3-dicarboxyphenyl)phenyl]fluoren-9-yl]phenyl]phthalic acid
CID 174656697
4-(4-carboxybenzoyl)benzoic acid;3-phenylphthalic acid
CID 175394432

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-6-carbamoylbenzoic acid?
The IUPAC name of 2-(4-aminophenyl)-6-carbamoylbenzoic acid (CID 158760477) is 2-(4-aminophenyl)-6-carbamoylbenzoic acid.
What is the SMILES notation for 2-(4-aminophenyl)-6-carbamoylbenzoic acid?
The canonical SMILES for 2-(4-aminophenyl)-6-carbamoylbenzoic acid is NC(=O)c1cccc(-c2ccc(N)cc2)c1C(=O)O.
What is the InChIKey of 2-(4-aminophenyl)-6-carbamoylbenzoic acid?
The InChIKey is IOPHEUAYPVZISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c15-9-6-4-8(5-7-9)10-2-1-3-11(13(16)17)12(10)14(18)19/h1-7H,15H2,(H2,16,17)(H,18,19).
What are the key properties of 2-(4-aminophenyl)-6-carbamoylbenzoic acid?
2-(4-aminophenyl)-6-carbamoylbenzoic acid has a molecular weight of 256.26 g/mol, XLogP of 1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-6-carbamoylbenzoic acid is sourced from PubChem (CID 158760477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).