7-[(2-chloro-4-methylbenzoyl)amino]heptanoic acid

C15H20ClNO3 — CID 106860475

IUPAC7-[(2-chloro-4-methylbenzoyl)amino]heptanoic acid
SMILESCc1ccc(C(=O)NCCCCCCC(=O)O)c(Cl)c1
InChIInChI=1S/C15H20ClNO3/c1-11-7-8-12(13(16)10-11)15(20)17-9-5-3-2-4-6-14(18)19/h7-8,10H,2-6,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyKDAOLJAKYUEEGQ-UHFFFAOYSA-N
MW297.78 g/mol
LogP3.41
Rot. Bonds8

About 7-[(2-chloro-4-methylbenzoyl)amino]heptanoic acid

7-[(2-chloro-4-methylbenzoyl)amino]heptanoic acid (PubChem CID 106860475) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 7-[(2-chloro-4-methylbenzoyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(2-chloro-4-methylbenzoyl)amino]heptanoic acid
PubChem CID106860475
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name7-[(2-chloro-4-methylbenzoyl)amino]heptanoic acid
SMILESCc1ccc(C(=O)NCCCCCCC(=O)O)c(Cl)c1
InChIInChI=1S/C15H20ClNO3/c1-11-7-8-12(13(16)10-11)15(20)17-9-5-3-2-4-6-14(18)19/h7-8,10H,2-6,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyKDAOLJAKYUEEGQ-UHFFFAOYSA-N
XLogP3.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-[(2-chloro-4-methylbenzoyl)amino]heptanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-bromohexyl)-2-chloro-4-methylbenzamide
CID 107847912
2-chloro-4-methyl-N-pentylbenzamide
CID 99835956
6-[(2-chloro-4-fluorobenzoyl)amino]hexanoic acid
CID 16782062
7-[(5-bromo-2-chlorobenzoyl)amino]heptanoic acid
CID 43240050
7-[(2-chloro-4-methylphenyl)carbamoylamino]heptanoic acid
CID 61196309
N-(4-azidobutyl)-2-chloro-4-methylbenzamide
CID 106386858
2-chloro-N-(3-cyanopropyl)-4-methylbenzamide
CID 103581973
6-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]hexanoic acid
CID 119220141
N-(3-azidopropyl)-2-chloro-4-methylbenzamide
CID 106863546
7-[(4-methylbenzoyl)amino]heptanoic acid
CID 24695278
2-chloro-4-methyl-N-[(E)-pent-3-enyl]benzamide
CID 103581958
6-[(3-chloro-4-methylbenzoyl)amino]hexanoic acid
CID 55161013

Frequently Asked Questions

What is the IUPAC name of 7-[(2-chloro-4-methylbenzoyl)amino]heptanoic acid?
The IUPAC name of 7-[(2-chloro-4-methylbenzoyl)amino]heptanoic acid (CID 106860475) is 7-[(2-chloro-4-methylbenzoyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(2-chloro-4-methylbenzoyl)amino]heptanoic acid?
The canonical SMILES for 7-[(2-chloro-4-methylbenzoyl)amino]heptanoic acid is Cc1ccc(C(=O)NCCCCCCC(=O)O)c(Cl)c1.
What is the InChIKey of 7-[(2-chloro-4-methylbenzoyl)amino]heptanoic acid?
The InChIKey is KDAOLJAKYUEEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-11-7-8-12(13(16)10-11)15(20)17-9-5-3-2-4-6-14(18)19/h7-8,10H,2-6,9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 7-[(2-chloro-4-methylbenzoyl)amino]heptanoic acid?
7-[(2-chloro-4-methylbenzoyl)amino]heptanoic acid has a molecular weight of 297.78 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-chloro-4-methylbenzoyl)amino]heptanoic acid is sourced from PubChem (CID 106860475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).