2-chloro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide

C15H22ClNO2 — CID 111662482

IUPAC2-chloro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
SMILESCC(C)CC(CCO)CNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H22ClNO2/c1-11(2)9-12(7-8-18)10-17-15(19)13-5-3-4-6-14(13)16/h3-6,11-12,18H,7-10H2,1-2H3,(H,17,19)
InChIKeyAYCUDJSIWOUISN-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.11
Rot. Bonds7

About 2-chloro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide

2-chloro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide (PubChem CID 111662482) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
PubChem CID111662482
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name2-chloro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
SMILESCC(C)CC(CCO)CNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H22ClNO2/c1-11(2)9-12(7-8-18)10-17-15(19)13-5-3-4-6-14(13)16/h3-6,11-12,18H,7-10H2,1-2H3,(H,17,19)
InChIKeyAYCUDJSIWOUISN-UHFFFAOYSA-N
XLogP3.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-chloro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide 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

2-chloro-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103722702
3-[[(2-chlorobenzoyl)amino]methyl]-5-methylhexanoic acid
CID 65492460
N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662609
2,4-dichloro-5-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662542
2-chloro-N-[2-[[N-ethyl-N'-[2-(2-hydroxyethyl)-4-methylpentyl]carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111715205
2-chloro-N-(3-methylbutyl)benzamide
CID 669760
2-chloro-N-(4-chloro-2-methylbutyl)benzamide
CID 114306157
4-acetyl-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662598
5-fluoro-2-hydroxy-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111860779
2-chloro-N-[(2R)-4-methylpentan-2-yl]benzamide
CID 7311900
N-[2-(2-hydroxyethyl)-4-methylpentyl]-1-benzofuran-2-carboxamide
CID 111662507
N-(3-amino-2-methylpropyl)-2-chlorobenzamide;hydrochloride
CID 119998030

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide (CID 111662482) is 2-chloro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide is CC(C)CC(CCO)CNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide?
The InChIKey is AYCUDJSIWOUISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-11(2)9-12(7-8-18)10-17-15(19)13-5-3-4-6-14(13)16/h3-6,11-12,18H,7-10H2,1-2H3,(H,17,19).
What are the key properties of 2-chloro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide?
2-chloro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide has a molecular weight of 283.80 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide is sourced from PubChem (CID 111662482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).