2-amino-5-(4-carbamoylphenoxy)benzoic acid

C14H12N2O4 — CID 60986679

IUPAC2-amino-5-(4-carbamoylphenoxy)benzoic acid
SMILESNC(=O)c1ccc(Oc2ccc(N)c(C(=O)O)c2)cc1
InChIInChI=1S/C14H12N2O4/c15-12-6-5-10(7-11(12)14(18)19)20-9-3-1-8(2-4-9)13(16)17/h1-7H,15H2,(H2,16,17)(H,18,19)
InChIKeyLITRRWVKEPLTGE-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.86
Rot. Bonds4

About 2-amino-5-(4-carbamoylphenoxy)benzoic acid

2-amino-5-(4-carbamoylphenoxy)benzoic acid (PubChem CID 60986679) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-amino-5-(4-carbamoylphenoxy)benzoic acid.

Molecular Properties

Compound Name2-amino-5-(4-carbamoylphenoxy)benzoic acid
PubChem CID60986679
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name2-amino-5-(4-carbamoylphenoxy)benzoic acid
SMILESNC(=O)c1ccc(Oc2ccc(N)c(C(=O)O)c2)cc1
InChIInChI=1S/C14H12N2O4/c15-12-6-5-10(7-11(12)14(18)19)20-9-3-1-8(2-4-9)13(16)17/h1-7H,15H2,(H2,16,17)(H,18,19)
InChIKeyLITRRWVKEPLTGE-UHFFFAOYSA-N
XLogP1.86
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Methoxybenzamido)benzoic acid
CID 721421
2-[(4-Ethoxybenzoyl)amino]benzoic acid
CID 590977
2-Amino-5-ethoxy-4-methoxybenzoic acid
CID 4962862
5-Methoxyanthranilic acid
CID 277930
5-(Acetyloxy)-2-{[(4-methoxyphenyl)acetyl]amino}benzoic acid
CID 889613
Melandrin
CID 184285
2-Amino-5-phenoxybenzoic acid
CID 14233437
Phenyl anthranilate
CID 66300
Benzamide, 2-amino-5-(4-aminophenoxy)-
CID 170424
2-(4-Fluoro-3-phenoxybenzoylamino)benzoic acid
CID 11233439
3-{3-[(2-Carboxyphenyl)carbamoyl]phenoxy}benzoic acid
CID 11291848
2-(3-Phenoxybenzoylamino)benzoic acid
CID 11325072

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-carbamoylphenoxy)benzoic acid?
The IUPAC name of 2-amino-5-(4-carbamoylphenoxy)benzoic acid (CID 60986679) is 2-amino-5-(4-carbamoylphenoxy)benzoic acid.
What is the SMILES notation for 2-amino-5-(4-carbamoylphenoxy)benzoic acid?
The canonical SMILES for 2-amino-5-(4-carbamoylphenoxy)benzoic acid is NC(=O)c1ccc(Oc2ccc(N)c(C(=O)O)c2)cc1.
What is the InChIKey of 2-amino-5-(4-carbamoylphenoxy)benzoic acid?
The InChIKey is LITRRWVKEPLTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c15-12-6-5-10(7-11(12)14(18)19)20-9-3-1-8(2-4-9)13(16)17/h1-7H,15H2,(H2,16,17)(H,18,19).
What are the key properties of 2-amino-5-(4-carbamoylphenoxy)benzoic acid?
2-amino-5-(4-carbamoylphenoxy)benzoic acid has a molecular weight of 272.26 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-carbamoylphenoxy)benzoic acid is sourced from PubChem (CID 60986679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).