2-[(3-chloro-4-fluorobenzoyl)amino]acetic acid

C9H7ClFNO3 — CID 80502677

IUPAC2-[(3-chloro-4-fluorobenzoyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H7ClFNO3/c10-6-3-5(1-2-7(6)11)9(15)12-4-8(13)14/h1-3H,4H2,(H,12,15)(H,13,14)
InChIKeyVOJWGXWAKIPMKO-UHFFFAOYSA-N
MW231.61 g/mol
LogP1.29
Rot. Bonds3

About 2-[(3-chloro-4-fluorobenzoyl)amino]acetic acid

2-[(3-chloro-4-fluorobenzoyl)amino]acetic acid (PubChem CID 80502677) has the molecular formula C9H7ClFNO3 and a molecular weight of 231.61 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorobenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorobenzoyl)amino]acetic acid
PubChem CID80502677
Molecular FormulaC9H7ClFNO3
Molecular Weight231.61 g/mol
Exact Mass231.01
IUPAC Name2-[(3-chloro-4-fluorobenzoyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H7ClFNO3/c10-6-3-5(1-2-7(6)11)9(15)12-4-8(13)14/h1-3H,4H2,(H,12,15)(H,13,14)
InChIKeyVOJWGXWAKIPMKO-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

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Related Compounds

3-(3-chloro-4-fluorophenyl)-3-oxopropanoic acid
CID 69156717
3-chloro-4-fluoro-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115732894
2-[[2-[(3-bromo-4-fluorobenzoyl)amino]acetyl]amino]acetic acid
CID 114019599
3-chloro-4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107231671
3-chloro-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115731912
2-[(3-chloro-5-fluorobenzoyl)amino]acetic acid
CID 175668363
3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 113263684
3-chloro-4-fluoro-N-(3-methoxypropyl)benzamide
CID 110764723
N-[[4-(aminomethyl)phenyl]methyl]-3-chloro-4-fluorobenzamide
CID 82880028
2-[[4-(4-chlorophenoxy)benzoyl]amino]acetic acid
CID 66812377
6-[(3-chloro-4-fluorobenzoyl)amino]-4-ethylhexanoic acid
CID 82873187
3-chloro-4-fluoro-N-(2,2,2-trifluoroethoxy)benzamide
CID 81435190

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorobenzoyl)amino]acetic acid?
The IUPAC name of 2-[(3-chloro-4-fluorobenzoyl)amino]acetic acid (CID 80502677) is 2-[(3-chloro-4-fluorobenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-chloro-4-fluorobenzoyl)amino]acetic acid?
The canonical SMILES for 2-[(3-chloro-4-fluorobenzoyl)amino]acetic acid is O=C(O)CNC(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[(3-chloro-4-fluorobenzoyl)amino]acetic acid?
The InChIKey is VOJWGXWAKIPMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFNO3/c10-6-3-5(1-2-7(6)11)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-4-fluorobenzoyl)amino]acetic acid?
2-[(3-chloro-4-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-4-fluorobenzoyl)amino]acetic acid is sourced from PubChem (CID 80502677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).