2-(N-(2-amino-5-fluorobenzoyl)anilino)acetic acid

C15H13FN2O3 — CID 61162239

IUPAC2-(N-(2-amino-5-fluorobenzoyl)anilino)acetic acid
SMILESNc1ccc(F)cc1C(=O)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C15H13FN2O3/c16-10-6-7-13(17)12(8-10)15(21)18(9-14(19)20)11-4-2-1-3-5-11/h1-8H,9,17H2,(H,19,20)
InChIKeyNUMSEOLFFYGKBZ-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.14
Rot. Bonds4

About 2-(N-(2-amino-5-fluorobenzoyl)anilino)acetic acid

2-(N-(2-amino-5-fluorobenzoyl)anilino)acetic acid (PubChem CID 61162239) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 2-(N-(2-amino-5-fluorobenzoyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(N-(2-amino-5-fluorobenzoyl)anilino)acetic acid
PubChem CID61162239
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name2-(N-(2-amino-5-fluorobenzoyl)anilino)acetic acid
SMILESNc1ccc(F)cc1C(=O)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C15H13FN2O3/c16-10-6-7-13(17)12(8-10)15(21)18(9-14(19)20)11-4-2-1-3-5-11/h1-8H,9,17H2,(H,19,20)
InChIKeyNUMSEOLFFYGKBZ-UHFFFAOYSA-N
XLogP2.14
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(N-(5-fluoro-2-methylbenzoyl)anilino)acetic acid
CID 63049276
2-(N-(2-amino-5-cyanobenzoyl)anilino)acetic acid
CID 22382647
2-(N-(3,5-difluorobenzoyl)anilino)acetic acid
CID 60832677
2-(N-(2-aminobenzoyl)-4-chloroanilino)acetic acid
CID 61214109
2-[(2-amino-5-fluorobenzoyl)-(cyclopropylmethyl)amino]acetic acid
CID 61159892
2-(N-(3-bromo-4-fluorobenzoyl)anilino)acetic acid
CID 103841255
2-amino-5-fluoro-N,N-dimethylbenzamide;hydrochloride
CID 75414598
2-(N-(2-hydroxybenzoyl)-4-methylanilino)acetic acid
CID 60831615
N-butyl-4-fluoro-2-hydroxy-N-phenylbenzamide
CID 103889306
2-amino-N-(3,5-dimethylphenyl)-5-fluoro-N-methylbenzamide
CID 62002165
2-(3,5-dichloro-N-(2-hydroxybenzoyl)anilino)acetic acid
CID 44563691
methyl 2-[(2-amino-5-fluorobenzoyl)-ethylamino]acetate
CID 54998021

Frequently Asked Questions

What is the IUPAC name of 2-(N-(2-amino-5-fluorobenzoyl)anilino)acetic acid?
The IUPAC name of 2-(N-(2-amino-5-fluorobenzoyl)anilino)acetic acid (CID 61162239) is 2-(N-(2-amino-5-fluorobenzoyl)anilino)acetic acid.
What is the SMILES notation for 2-(N-(2-amino-5-fluorobenzoyl)anilino)acetic acid?
The canonical SMILES for 2-(N-(2-amino-5-fluorobenzoyl)anilino)acetic acid is Nc1ccc(F)cc1C(=O)N(CC(=O)O)c1ccccc1.
What is the InChIKey of 2-(N-(2-amino-5-fluorobenzoyl)anilino)acetic acid?
The InChIKey is NUMSEOLFFYGKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c16-10-6-7-13(17)12(8-10)15(21)18(9-14(19)20)11-4-2-1-3-5-11/h1-8H,9,17H2,(H,19,20).
What are the key properties of 2-(N-(2-amino-5-fluorobenzoyl)anilino)acetic acid?
2-(N-(2-amino-5-fluorobenzoyl)anilino)acetic acid has a molecular weight of 288.28 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2-amino-5-fluorobenzoyl)anilino)acetic acid is sourced from PubChem (CID 61162239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).