3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide

C12H14ClNO2 — CID 43576965

IUPAC3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
SMILESO=C(c1cccc(Cl)c1)N(CCO)C1CC1
InChIInChI=1S/C12H14ClNO2/c13-10-3-1-2-9(8-10)12(16)14(6-7-15)11-4-5-11/h1-3,8,11,15H,4-7H2
InChIKeyLIPAOADNPIRJRQ-UHFFFAOYSA-N
MW239.70 g/mol
LogP1.94
Rot. Bonds4

About 3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide

3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide (PubChem CID 43576965) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
PubChem CID43576965
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
SMILESO=C(c1cccc(Cl)c1)N(CCO)C1CC1
InChIInChI=1S/C12H14ClNO2/c13-10-3-1-2-9(8-10)12(16)14(6-7-15)11-4-5-11/h1-3,8,11,15H,4-7H2
InChIKeyLIPAOADNPIRJRQ-UHFFFAOYSA-N
XLogP1.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)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

N-cyclopentyl-3-hydroxy-N-(2-hydroxyethyl)benzamide
CID 54994210
3-chloro-N-cyclopropyl-N-methylbenzamide
CID 110726716
N-cyclopropyl-N-(2-hydroxyethyl)-3-propoxybenzamide
CID 62920027
N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethylbenzamide
CID 43576906
3-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-4-iodobenzamide
CID 102685010
2-amino-5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 43575514
(E)-3-(3-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)prop-2-enamide
CID 43577307
N-[2-[acetyl(cyclopropyl)amino]ethyl]-3-chlorobenzamide
CID 113052148
N-cyclopropyl-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzamide
CID 43576735
3-chloro-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 810006
3-bromo-N-(2-chloroethyl)-N-cyclopropylbenzamide
CID 63394655
2-amino-3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 115540101

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide (CID 43576965) is 3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide is O=C(c1cccc(Cl)c1)N(CCO)C1CC1.
What is the InChIKey of 3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide?
The InChIKey is LIPAOADNPIRJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c13-10-3-1-2-9(8-10)12(16)14(6-7-15)11-4-5-11/h1-3,8,11,15H,4-7H2.
What are the key properties of 3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide?
3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide has a molecular weight of 239.70 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 43576965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).