2-[[(2-chloro-4-methylbenzoyl)amino]methyl]pentanoic acid

C14H18ClNO3 — CID 106860607

IUPAC2-[[(2-chloro-4-methylbenzoyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)c1ccc(C)cc1Cl)C(=O)O
InChIInChI=1S/C14H18ClNO3/c1-3-4-10(14(18)19)8-16-13(17)11-6-5-9(2)7-12(11)15/h5-7,10H,3-4,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyZPHPIUBMYUQWBU-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.88
Rot. Bonds6

About 2-[[(2-chloro-4-methylbenzoyl)amino]methyl]pentanoic acid

2-[[(2-chloro-4-methylbenzoyl)amino]methyl]pentanoic acid (PubChem CID 106860607) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 2-[[(2-chloro-4-methylbenzoyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[(2-chloro-4-methylbenzoyl)amino]methyl]pentanoic acid
PubChem CID106860607
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name2-[[(2-chloro-4-methylbenzoyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)c1ccc(C)cc1Cl)C(=O)O
InChIInChI=1S/C14H18ClNO3/c1-3-4-10(14(18)19)8-16-13(17)11-6-5-9(2)7-12(11)15/h5-7,10H,3-4,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyZPHPIUBMYUQWBU-UHFFFAOYSA-N
XLogP2.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[2-(2-hydroxyethyl)pentyl]-4-methylbenzamide
CID 106509848
2-[[(2,3-dichlorobenzoyl)amino]methyl]pentanoic acid
CID 65218826
2-[[(4-bromo-2-hydroxybenzoyl)amino]methyl]pentanoic acid
CID 65219579
N-(2-aminopropyl)-2-chloro-4-methylbenzamide
CID 106862152
2-chloro-N-(2-chloro-3-methylbutyl)-4-methylbenzamide
CID 106864028
(2S)-2-[(2-chloro-4-methylbenzoyl)amino]hexanoic acid
CID 107144325
2-chloro-4-methyl-N-pentylbenzamide
CID 99835956
2-[[(2-chloro-4-nitrobenzoyl)amino]methyl]butanoic acid
CID 65219125
2-[[(5-methyl-1-benzofuran-2-carbonyl)amino]methyl]pentanoic acid
CID 65219540
4-bromo-2-chloro-N-(2-hydroxypentyl)benzamide
CID 113258679
2-chloro-N-(2-formyl-3-hydroxypropyl)-4-methylbenzamide
CID 143035979
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-chloro-4-methylbenzamide
CID 106861296

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-chloro-4-methylbenzoyl)amino]methyl]pentanoic acid?
The IUPAC name of 2-[[(2-chloro-4-methylbenzoyl)amino]methyl]pentanoic acid (CID 106860607) is 2-[[(2-chloro-4-methylbenzoyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[(2-chloro-4-methylbenzoyl)amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[(2-chloro-4-methylbenzoyl)amino]methyl]pentanoic acid is CCCC(CNC(=O)c1ccc(C)cc1Cl)C(=O)O.
What is the InChIKey of 2-[[(2-chloro-4-methylbenzoyl)amino]methyl]pentanoic acid?
The InChIKey is ZPHPIUBMYUQWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-3-4-10(14(18)19)8-16-13(17)11-6-5-9(2)7-12(11)15/h5-7,10H,3-4,8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[(2-chloro-4-methylbenzoyl)amino]methyl]pentanoic acid?
2-[[(2-chloro-4-methylbenzoyl)amino]methyl]pentanoic acid has a molecular weight of 283.75 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-chloro-4-methylbenzoyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 106860607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).