6-[(4-chloro-2-ethoxybenzoyl)amino]hexanoic acid

C15H20ClNO4 — CID 120522449

IUPAC6-[(4-chloro-2-ethoxybenzoyl)amino]hexanoic acid
SMILESCCOc1cc(Cl)ccc1C(=O)NCCCCCC(=O)O
InChIInChI=1S/C15H20ClNO4/c1-2-21-13-10-11(16)7-8-12(13)15(20)17-9-5-3-4-6-14(18)19/h7-8,10H,2-6,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyOWCFBPKKBYKESG-UHFFFAOYSA-N
MW313.78 g/mol
LogP3.11
Rot. Bonds9

About 6-[(4-chloro-2-ethoxybenzoyl)amino]hexanoic acid

6-[(4-chloro-2-ethoxybenzoyl)amino]hexanoic acid (PubChem CID 120522449) has the molecular formula C15H20ClNO4 and a molecular weight of 313.78 g/mol. Its IUPAC name is 6-[(4-chloro-2-ethoxybenzoyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(4-chloro-2-ethoxybenzoyl)amino]hexanoic acid
PubChem CID120522449
Molecular FormulaC15H20ClNO4
Molecular Weight313.78 g/mol
Exact Mass313.11
IUPAC Name6-[(4-chloro-2-ethoxybenzoyl)amino]hexanoic acid
SMILESCCOc1cc(Cl)ccc1C(=O)NCCCCCC(=O)O
InChIInChI=1S/C15H20ClNO4/c1-2-21-13-10-11(16)7-8-12(13)15(20)17-9-5-3-4-6-14(18)19/h7-8,10H,2-6,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyOWCFBPKKBYKESG-UHFFFAOYSA-N
XLogP3.11
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[(4-chloro-2-ethoxybenzoyl)amino]hexanoic 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

3-[(4-chloro-2-ethoxybenzoyl)amino]propanoic acid
CID 120515164
4-[(4-chloro-2-ethylsulfanylbenzoyl)amino]butanoic acid
CID 120684450
4-[(5-chloro-2-propoxybenzoyl)amino]butanoic acid
CID 119170646
4-chloro-2-ethoxy-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide
CID 110007287
6-[(4-ethoxyphenoxy)methylcarbamoylamino]hexanoic acid
CID 108890677
7-[(2-chloro-4-methylbenzoyl)amino]heptanoic acid
CID 106860475
4-[(2-amino-4-chlorobenzoyl)amino]butanoic acid
CID 63110659
7-[(2,3,4-trifluorobenzoyl)amino]heptanoic acid
CID 79757091
8-[(5-chloro-2-hydroxybenzoyl)amino]octanoic acid;2-(dimethylamino)acetic acid
CID 175912577
11-[(2-methoxybenzoyl)amino]undecanoic acid
CID 20625360
2-ethoxy-N-(6-hydroxyhexyl)benzamide
CID 103919109
4-[(5-chloro-2-ethylsulfanylbenzoyl)amino]butanoic acid
CID 119352707

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chloro-2-ethoxybenzoyl)amino]hexanoic acid?
The IUPAC name of 6-[(4-chloro-2-ethoxybenzoyl)amino]hexanoic acid (CID 120522449) is 6-[(4-chloro-2-ethoxybenzoyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(4-chloro-2-ethoxybenzoyl)amino]hexanoic acid?
The canonical SMILES for 6-[(4-chloro-2-ethoxybenzoyl)amino]hexanoic acid is CCOc1cc(Cl)ccc1C(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[(4-chloro-2-ethoxybenzoyl)amino]hexanoic acid?
The InChIKey is OWCFBPKKBYKESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4/c1-2-21-13-10-11(16)7-8-12(13)15(20)17-9-5-3-4-6-14(18)19/h7-8,10H,2-6,9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 6-[(4-chloro-2-ethoxybenzoyl)amino]hexanoic acid?
6-[(4-chloro-2-ethoxybenzoyl)amino]hexanoic acid has a molecular weight of 313.78 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chloro-2-ethoxybenzoyl)amino]hexanoic acid is sourced from PubChem (CID 120522449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).