2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxybutanoic acid

C11H11ClFNO4 — CID 81453778

IUPAC2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)c1cccc(F)c1Cl)C(=O)O
InChIInChI=1S/C11H11ClFNO4/c1-5(15)9(11(17)18)14-10(16)6-3-2-4-7(13)8(6)12/h2-5,9,15H,1H3,(H,14,16)(H,17,18)
InChIKeyWTZBXKWTGQKIAR-UHFFFAOYSA-N
MW275.66 g/mol
LogP1.04
Rot. Bonds4

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

2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxybutanoic acid (PubChem CID 81453778) has the molecular formula C11H11ClFNO4 and a molecular weight of 275.66 g/mol. Its IUPAC name is 2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxybutanoic acid
PubChem CID81453778
Molecular FormulaC11H11ClFNO4
Molecular Weight275.66 g/mol
Exact Mass275.04
IUPAC Name2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)c1cccc(F)c1Cl)C(=O)O
InChIInChI=1S/C11H11ClFNO4/c1-5(15)9(11(17)18)14-10(16)6-3-2-4-7(13)8(6)12/h2-5,9,15H,1H3,(H,14,16)(H,17,18)
InChIKeyWTZBXKWTGQKIAR-UHFFFAOYSA-N
XLogP1.04
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.66
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-3-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 81361459
(2S)-2-[(2-chloro-3-fluorobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 81362000
3-[(2-chloro-3-fluorobenzoyl)amino]-2-methyl-3-phenylpropanoic acid
CID 75513392
2-chloro-3-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 81461590
2-chloro-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide
CID 83030652
(2S)-2-[(2-chloro-3-fluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 114004822
2-[(2-fluoro-6-methoxybenzoyl)amino]-3-hydroxybutanoic acid
CID 65432052
2-chloro-3-fluoro-N-(1-iodo-3-methylbutan-2-yl)benzamide
CID 107859993
4-[(2-chloro-3-fluorobenzoyl)amino]-2-methylbutanoic acid
CID 81453598
2-[(2-aminobenzoyl)amino]-3-hydroxybutanoic acid
CID 61213819
3-hydroxy-2-[[2-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 16776421
2-[(2,6-difluorophenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 61195936

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxybutanoic acid (CID 81453778) is 2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxybutanoic acid is CC(O)C(NC(=O)c1cccc(F)c1Cl)C(=O)O.
What is the InChIKey of 2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxybutanoic acid?
The InChIKey is WTZBXKWTGQKIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO4/c1-5(15)9(11(17)18)14-10(16)6-3-2-4-7(13)8(6)12/h2-5,9,15H,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxybutanoic acid?
2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxybutanoic acid has a molecular weight of 275.66 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 81453778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).