2-[(3-chloro-5-fluorobenzoyl)amino]acetic acid

C9H7ClFNO3 — CID 175668363

IUPAC2-[(3-chloro-5-fluorobenzoyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1cc(F)cc(Cl)c1
InChIInChI=1S/C9H7ClFNO3/c10-6-1-5(2-7(11)3-6)9(15)12-4-8(13)14/h1-3H,4H2,(H,12,15)(H,13,14)
InChIKeyURRXZOHETNVBSP-UHFFFAOYSA-N
MW231.61 g/mol
LogP1.29
Rot. Bonds3

About 2-[(3-chloro-5-fluorobenzoyl)amino]acetic acid

2-[(3-chloro-5-fluorobenzoyl)amino]acetic acid (PubChem CID 175668363) has the molecular formula C9H7ClFNO3 and a molecular weight of 231.61 g/mol. Its IUPAC name is 2-[(3-chloro-5-fluorobenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-chloro-5-fluorobenzoyl)amino]acetic acid
PubChem CID175668363
Molecular FormulaC9H7ClFNO3
Molecular Weight231.61 g/mol
Exact Mass231.01
IUPAC Name2-[(3-chloro-5-fluorobenzoyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1cc(F)cc(Cl)c1
InChIInChI=1S/C9H7ClFNO3/c10-6-1-5(2-7(11)3-6)9(15)12-4-8(13)14/h1-3H,4H2,(H,12,15)(H,13,14)
InChIKeyURRXZOHETNVBSP-UHFFFAOYSA-N
XLogP1.29
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.61
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(3-chloro-5-fluorobenzoyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-ethyl-5-fluorobenzamide
CID 125115811
2-[[2-[(3,5-difluorobenzoyl)amino]acetyl]amino]acetic acid
CID 43387598
2-[(3-chloro-4-fluorobenzoyl)amino]acetic acid
CID 80502677
2-[(3-chloro-5-fluorophenyl)carbamoylamino]acetic acid
CID 107368671
2-[[5-(3-chloro-5-fluorophenyl)furan-2-carbonyl]amino]acetic acid
CID 176914450
3,5-difluoro-N-(2-oxopropyl)benzamide
CID 64997120
3-chloro-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-5-fluorobenzamide
CID 125443294
5-(3-chloro-5-fluorophenyl)-5-oxopentanoic acid
CID 2757592
CID 163296590
CID 163296590
3-chloro-5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 122569574
2-[(3,5-dichloro-4-methoxybenzoyl)amino]acetic acid
CID 43354480
CID 163296591
CID 163296591

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-5-fluorobenzoyl)amino]acetic acid?
The IUPAC name of 2-[(3-chloro-5-fluorobenzoyl)amino]acetic acid (CID 175668363) is 2-[(3-chloro-5-fluorobenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-chloro-5-fluorobenzoyl)amino]acetic acid?
The canonical SMILES for 2-[(3-chloro-5-fluorobenzoyl)amino]acetic acid is O=C(O)CNC(=O)c1cc(F)cc(Cl)c1.
What is the InChIKey of 2-[(3-chloro-5-fluorobenzoyl)amino]acetic acid?
The InChIKey is URRXZOHETNVBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFNO3/c10-6-1-5(2-7(11)3-6)9(15)12-4-8(13)14/h1-3H,4H2,(H,12,15)(H,13,14).
What are the key properties of 2-[(3-chloro-5-fluorobenzoyl)amino]acetic acid?
2-[(3-chloro-5-fluorobenzoyl)amino]acetic acid has a molecular weight of 231.61 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-5-fluorobenzoyl)amino]acetic acid is sourced from PubChem (CID 175668363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).