3-[[(2-chlorobenzoyl)amino]methyl]-5-methylhexanoic acid

C15H20ClNO3 — CID 65492460

IUPAC3-[[(2-chlorobenzoyl)amino]methyl]-5-methylhexanoic acid
SMILESCC(C)CC(CNC(=O)c1ccccc1Cl)CC(=O)O
InChIInChI=1S/C15H20ClNO3/c1-10(2)7-11(8-14(18)19)9-17-15(20)12-5-3-4-6-13(12)16/h3-6,10-11H,7-9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyJTRGZMSHZPPIIQ-UHFFFAOYSA-N
MW297.78 g/mol
LogP3.21
Rot. Bonds7

About 3-[[(2-chlorobenzoyl)amino]methyl]-5-methylhexanoic acid

3-[[(2-chlorobenzoyl)amino]methyl]-5-methylhexanoic acid (PubChem CID 65492460) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 3-[[(2-chlorobenzoyl)amino]methyl]-5-methylhexanoic acid.

Molecular Properties

Compound Name3-[[(2-chlorobenzoyl)amino]methyl]-5-methylhexanoic acid
PubChem CID65492460
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name3-[[(2-chlorobenzoyl)amino]methyl]-5-methylhexanoic acid
SMILESCC(C)CC(CNC(=O)c1ccccc1Cl)CC(=O)O
InChIInChI=1S/C15H20ClNO3/c1-10(2)7-11(8-14(18)19)9-17-15(20)12-5-3-4-6-13(12)16/h3-6,10-11H,7-9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyJTRGZMSHZPPIIQ-UHFFFAOYSA-N
XLogP3.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662482
3-[[(3-chloropyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 66462020
3-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-5-methylhexanoic acid
CID 65492259
3-[[(3-chlorobenzoyl)amino]methyl]-5-methylhexanoic acid
CID 65494736
(3S)-3-[[(2,6-dihydroxybenzoyl)amino]methyl]-5-methylhexanoic acid
CID 107688084
3-[[(6-chloropyridine-2-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 65492491
5-methyl-3-[[(2-methylfuran-3-carbonyl)amino]methyl]hexanoic acid
CID 65494748
3-[[(5-chlorofuran-2-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 65493090
2-chloro-N-[(2R)-4-methylpentan-2-yl]benzamide
CID 7311900
(3S)-3-[[(5-fluoro-2-hydroxybenzoyl)amino]methyl]-5-methylhexanoic acid
CID 115298558
2-chloro-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103722702
3-[[(4-aminobenzoyl)amino]methyl]-5-methylhexanoic acid
CID 65493934

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-chlorobenzoyl)amino]methyl]-5-methylhexanoic acid?
The IUPAC name of 3-[[(2-chlorobenzoyl)amino]methyl]-5-methylhexanoic acid (CID 65492460) is 3-[[(2-chlorobenzoyl)amino]methyl]-5-methylhexanoic acid.
What is the SMILES notation for 3-[[(2-chlorobenzoyl)amino]methyl]-5-methylhexanoic acid?
The canonical SMILES for 3-[[(2-chlorobenzoyl)amino]methyl]-5-methylhexanoic acid is CC(C)CC(CNC(=O)c1ccccc1Cl)CC(=O)O.
What is the InChIKey of 3-[[(2-chlorobenzoyl)amino]methyl]-5-methylhexanoic acid?
The InChIKey is JTRGZMSHZPPIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-10(2)7-11(8-14(18)19)9-17-15(20)12-5-3-4-6-13(12)16/h3-6,10-11H,7-9H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 3-[[(2-chlorobenzoyl)amino]methyl]-5-methylhexanoic acid?
3-[[(2-chlorobenzoyl)amino]methyl]-5-methylhexanoic acid has a molecular weight of 297.78 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-chlorobenzoyl)amino]methyl]-5-methylhexanoic acid is sourced from PubChem (CID 65492460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).