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

C14H20ClNO2 — CID 103770930

IUPAC3-chloro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(O)CC(C)C)cc1Cl
InChIInChI=1S/C14H20ClNO2/c1-9(2)6-12(17)8-16-14(18)11-5-4-10(3)13(15)7-11/h4-5,7,9,12,17H,6,8H2,1-3H3,(H,16,18)
InChIKeyOXJZPWDEBNZIDG-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.79
Rot. Bonds5

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

3-chloro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide (PubChem CID 103770930) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 3-chloro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide
PubChem CID103770930
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name3-chloro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(O)CC(C)C)cc1Cl
InChIInChI=1S/C14H20ClNO2/c1-9(2)6-12(17)8-16-14(18)11-5-4-10(3)13(15)7-11/h4-5,7,9,12,17H,6,8H2,1-3H3,(H,16,18)
InChIKeyOXJZPWDEBNZIDG-UHFFFAOYSA-N
XLogP2.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-chloro-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103842950
3-[(3-chloro-4-methylbenzoyl)amino]-2-methylpropanoic acid
CID 63194263
3-chloro-4-methyl-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120828729
3,5-dichloro-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103770831
4-tert-butyl-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103771049
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-chloro-4-methylbenzamide
CID 76988296
4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043947
3-[(3-chloro-4-methylbenzoyl)amino]-2-methoxypropanoic acid
CID 114144324
2-chloro-N-(2-hydroxy-4-methylpentyl)-6-methylpyridine-4-carboxamide
CID 104955122
4-ethyl-N-(2-hydroxy-4-methylpentyl)benzamide
CID 113258694
N-(2-hydroxy-4-methylpentyl)-1,3-benzodioxole-5-carboxamide
CID 103771408
5-amino-2-chloro-N-(2-hydroxy-4-methylpentyl)benzamide
CID 107150578

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide?
The IUPAC name of 3-chloro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide (CID 103770930) is 3-chloro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide.
What is the SMILES notation for 3-chloro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide?
The canonical SMILES for 3-chloro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide is Cc1ccc(C(=O)NCC(O)CC(C)C)cc1Cl.
What is the InChIKey of 3-chloro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide?
The InChIKey is OXJZPWDEBNZIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-9(2)6-12(17)8-16-14(18)11-5-4-10(3)13(15)7-11/h4-5,7,9,12,17H,6,8H2,1-3H3,(H,16,18).
What are the key properties of 3-chloro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide?
3-chloro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide has a molecular weight of 269.77 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide is sourced from PubChem (CID 103770930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).