3-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-5-methylhexanoic acid

C15H20ClNO4 — CID 65492259

IUPAC3-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-5-methylhexanoic acid
SMILESCC(C)CC(CNC(=O)c1ccc(Cl)cc1O)CC(=O)O
InChIInChI=1S/C15H20ClNO4/c1-9(2)5-10(6-14(19)20)8-17-15(21)12-4-3-11(16)7-13(12)18/h3-4,7,9-10,18H,5-6,8H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyAGGFYXVAIWCKQV-UHFFFAOYSA-N
MW313.78 g/mol
LogP2.91
Rot. Bonds7

About 3-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-5-methylhexanoic acid

3-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-5-methylhexanoic acid (PubChem CID 65492259) has the molecular formula C15H20ClNO4 and a molecular weight of 313.78 g/mol. Its IUPAC name is 3-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-5-methylhexanoic acid.

Molecular Properties

Compound Name3-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-5-methylhexanoic acid
PubChem CID65492259
Molecular FormulaC15H20ClNO4
Molecular Weight313.78 g/mol
Exact Mass313.11
IUPAC Name3-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-5-methylhexanoic acid
SMILESCC(C)CC(CNC(=O)c1ccc(Cl)cc1O)CC(=O)O
InChIInChI=1S/C15H20ClNO4/c1-9(2)5-10(6-14(19)20)8-17-15(21)12-4-3-11(16)7-13(12)18/h3-4,7,9-10,18H,5-6,8H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyAGGFYXVAIWCKQV-UHFFFAOYSA-N
XLogP2.91
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-hydroxy-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103819904
4-chloro-N-(2-chloropropyl)-2-hydroxybenzamide
CID 114296442
3-[[(2-chlorobenzoyl)amino]methyl]-5-methylhexanoic acid
CID 65492460
3-[[(3-chlorobenzoyl)amino]methyl]-5-methylhexanoic acid
CID 65494736
(3S)-3-[[(5-fluoro-2-hydroxybenzoyl)amino]methyl]-5-methylhexanoic acid
CID 115298558
2-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-3-methylbutanoic acid
CID 65220450
2-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid
CID 43185164
(3S)-3-[[(2,6-dihydroxybenzoyl)amino]methyl]-5-methylhexanoic acid
CID 107688084
4-chloro-2-hydroxy-N-(2-methylbutyl)benzamide
CID 62692259
(3S)-3-[[(3,4-difluorobenzoyl)amino]methyl]-5-methylhexanoic acid
CID 65492448
(3S)-3-[[(2-bromo-4-fluorobenzoyl)amino]methyl]-5-methylhexanoic acid
CID 65493880
3-[[(3-chloropyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 66462020

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-5-methylhexanoic acid?
The IUPAC name of 3-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-5-methylhexanoic acid (CID 65492259) is 3-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-5-methylhexanoic acid.
What is the SMILES notation for 3-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-5-methylhexanoic acid?
The canonical SMILES for 3-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-5-methylhexanoic acid is CC(C)CC(CNC(=O)c1ccc(Cl)cc1O)CC(=O)O.
What is the InChIKey of 3-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-5-methylhexanoic acid?
The InChIKey is AGGFYXVAIWCKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4/c1-9(2)5-10(6-14(19)20)8-17-15(21)12-4-3-11(16)7-13(12)18/h3-4,7,9-10,18H,5-6,8H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 3-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-5-methylhexanoic acid?
3-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-5-methylhexanoic acid has a molecular weight of 313.78 g/mol, XLogP of 2.91, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-5-methylhexanoic acid is sourced from PubChem (CID 65492259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).