3-chloro-N-(3-hydroxy-4-methoxybutyl)-2-methylbenzamide

C13H18ClNO3 — CID 107168176

IUPAC3-chloro-N-(3-hydroxy-4-methoxybutyl)-2-methylbenzamide
SMILESCOCC(O)CCNC(=O)c1cccc(Cl)c1C
InChIInChI=1S/C13H18ClNO3/c1-9-11(4-3-5-12(9)14)13(17)15-7-6-10(16)8-18-2/h3-5,10,16H,6-8H2,1-2H3,(H,15,17)
InChIKeyQFRBRBFPSVNHRE-UHFFFAOYSA-N
MW271.74 g/mol
LogP1.78
Rot. Bonds6

About 3-chloro-N-(3-hydroxy-4-methoxybutyl)-2-methylbenzamide

3-chloro-N-(3-hydroxy-4-methoxybutyl)-2-methylbenzamide (PubChem CID 107168176) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 3-chloro-N-(3-hydroxy-4-methoxybutyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(3-hydroxy-4-methoxybutyl)-2-methylbenzamide
PubChem CID107168176
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name3-chloro-N-(3-hydroxy-4-methoxybutyl)-2-methylbenzamide
SMILESCOCC(O)CCNC(=O)c1cccc(Cl)c1C
InChIInChI=1S/C13H18ClNO3/c1-9-11(4-3-5-12(9)14)13(17)15-7-6-10(16)8-18-2/h3-5,10,16H,6-8H2,1-2H3,(H,15,17)
InChIKeyQFRBRBFPSVNHRE-UHFFFAOYSA-N
XLogP1.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-(3-hydroxy-4-methoxybutyl)-2-methylbenzamide 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-(3-hydroxy-4-methoxybutyl)-2-methylpyridine-3-carboxamide
CID 103876978
2-bromo-3-fluoro-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 106243511
4-chloro-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 113343606
2-ethoxy-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 103876954
3-chloro-N-(3-iodopropyl)-2-methylbenzamide
CID 107100281
2-chloro-N-(3-hydroxy-4-methoxybutyl)-4-nitrobenzamide
CID 103877654
4-fluoro-N-(3-hydroxy-4-methoxybutyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 103877257
2-fluoro-N-(3-hydroxy-4-methoxybutyl)-4-methylbenzamide
CID 103876983
5-chloro-N-(3-hydroxy-4-methoxybutyl)-4-iodo-2-methoxybenzamide
CID 103877149
N-(3-hydroxy-4-methoxybutyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 103877084
3-hydroxy-N-(3-hydroxypentyl)-2-methylbenzamide
CID 113342931
3-chloro-N-(4-iodobutyl)-2-methylbenzamide
CID 107100317

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-hydroxy-4-methoxybutyl)-2-methylbenzamide?
The IUPAC name of 3-chloro-N-(3-hydroxy-4-methoxybutyl)-2-methylbenzamide (CID 107168176) is 3-chloro-N-(3-hydroxy-4-methoxybutyl)-2-methylbenzamide.
What is the SMILES notation for 3-chloro-N-(3-hydroxy-4-methoxybutyl)-2-methylbenzamide?
The canonical SMILES for 3-chloro-N-(3-hydroxy-4-methoxybutyl)-2-methylbenzamide is COCC(O)CCNC(=O)c1cccc(Cl)c1C.
What is the InChIKey of 3-chloro-N-(3-hydroxy-4-methoxybutyl)-2-methylbenzamide?
The InChIKey is QFRBRBFPSVNHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-9-11(4-3-5-12(9)14)13(17)15-7-6-10(16)8-18-2/h3-5,10,16H,6-8H2,1-2H3,(H,15,17).
What are the key properties of 3-chloro-N-(3-hydroxy-4-methoxybutyl)-2-methylbenzamide?
3-chloro-N-(3-hydroxy-4-methoxybutyl)-2-methylbenzamide has a molecular weight of 271.74 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-hydroxy-4-methoxybutyl)-2-methylbenzamide is sourced from PubChem (CID 107168176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).