6-[(3-chloro-4-methylbenzoyl)amino]hexanoic acid

C14H18ClNO3 — CID 55161013

IUPAC6-[(3-chloro-4-methylbenzoyl)amino]hexanoic acid
SMILESCc1ccc(C(=O)NCCCCCC(=O)O)cc1Cl
InChIInChI=1S/C14H18ClNO3/c1-10-6-7-11(9-12(10)15)14(19)16-8-4-2-3-5-13(17)18/h6-7,9H,2-5,8H2,1H3,(H,16,19)(H,17,18)
InChIKeyAPBDZBZLILEJNX-UHFFFAOYSA-N
MW283.75 g/mol
LogP3.02
Rot. Bonds7

About 6-[(3-chloro-4-methylbenzoyl)amino]hexanoic acid

6-[(3-chloro-4-methylbenzoyl)amino]hexanoic acid (PubChem CID 55161013) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 6-[(3-chloro-4-methylbenzoyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(3-chloro-4-methylbenzoyl)amino]hexanoic acid
PubChem CID55161013
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name6-[(3-chloro-4-methylbenzoyl)amino]hexanoic acid
SMILESCc1ccc(C(=O)NCCCCCC(=O)O)cc1Cl
InChIInChI=1S/C14H18ClNO3/c1-10-6-7-11(9-12(10)15)14(19)16-8-4-2-3-5-13(17)18/h6-7,9H,2-5,8H2,1H3,(H,16,19)(H,17,18)
InChIKeyAPBDZBZLILEJNX-UHFFFAOYSA-N
XLogP3.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(5-chloropentyl)-4-methylbenzamide
CID 107321227
6-[(3-fluoro-4-methylbenzoyl)amino]hexanoic acid
CID 16787400
7-[(3-methoxy-4-methylbenzoyl)amino]heptanoic acid
CID 24701058
7-[(4-methylbenzoyl)amino]heptanoic acid
CID 24695278
5-[(3-bromo-4-chlorobenzoyl)amino]pentanoic acid
CID 107997905
6-[(4-chloro-3-nitrobenzoyl)amino]hexanoic acid
CID 103602649
3-[(3-chloro-4-methylbenzoyl)amino]propyl-dimethylazanium
CID 2261401
6-[[3,5-bis(5-carboxypentylcarbamoyl)benzoyl]amino]hexanoic acid
CID 71378278
7-[(3-chloro-4-methylphenyl)carbamoylamino]heptanoic acid
CID 43515072
5-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]amino]pentanoic acid
CID 119234912
4-[(3-amino-4-methylbenzoyl)amino]butanoic acid
CID 61158961
6-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid
CID 106752452

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chloro-4-methylbenzoyl)amino]hexanoic acid?
The IUPAC name of 6-[(3-chloro-4-methylbenzoyl)amino]hexanoic acid (CID 55161013) is 6-[(3-chloro-4-methylbenzoyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(3-chloro-4-methylbenzoyl)amino]hexanoic acid?
The canonical SMILES for 6-[(3-chloro-4-methylbenzoyl)amino]hexanoic acid is Cc1ccc(C(=O)NCCCCCC(=O)O)cc1Cl.
What is the InChIKey of 6-[(3-chloro-4-methylbenzoyl)amino]hexanoic acid?
The InChIKey is APBDZBZLILEJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-10-6-7-11(9-12(10)15)14(19)16-8-4-2-3-5-13(17)18/h6-7,9H,2-5,8H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 6-[(3-chloro-4-methylbenzoyl)amino]hexanoic acid?
6-[(3-chloro-4-methylbenzoyl)amino]hexanoic acid has a molecular weight of 283.75 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chloro-4-methylbenzoyl)amino]hexanoic acid is sourced from PubChem (CID 55161013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).