3-chloro-N-(1-cyclopropylethyl)-4-hydroxybenzamide

C12H14ClNO2 — CID 42919481

IUPAC3-chloro-N-(1-cyclopropylethyl)-4-hydroxybenzamide
SMILESCC(NC(=O)c1ccc(O)c(Cl)c1)C1CC1
InChIInChI=1S/C12H14ClNO2/c1-7(8-2-3-8)14-12(16)9-4-5-11(15)10(13)6-9/h4-8,15H,2-3H2,1H3,(H,14,16)
InChIKeyGFILKRFCUQZYNY-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.57
Rot. Bonds3

About 3-chloro-N-(1-cyclopropylethyl)-4-hydroxybenzamide

3-chloro-N-(1-cyclopropylethyl)-4-hydroxybenzamide (PubChem CID 42919481) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 3-chloro-N-(1-cyclopropylethyl)-4-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(1-cyclopropylethyl)-4-hydroxybenzamide
PubChem CID42919481
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name3-chloro-N-(1-cyclopropylethyl)-4-hydroxybenzamide
SMILESCC(NC(=O)c1ccc(O)c(Cl)c1)C1CC1
InChIInChI=1S/C12H14ClNO2/c1-7(8-2-3-8)14-12(16)9-4-5-11(15)10(13)6-9/h4-8,15H,2-3H2,1H3,(H,14,16)
InChIKeyGFILKRFCUQZYNY-UHFFFAOYSA-N
XLogP2.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-chloro-N-(1-cyclopropylethyl)-4-hydroxybenzamide 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-chloro-N-(1-cyclohexylethyl)-4-hydroxybenzamide
CID 62407060
3-amino-4-chloro-N-(1-cyclopropylethyl)benzamide
CID 43533105
N-(1-cyclopropylethyl)-3-hydroxy-4-iodobenzamide
CID 104627471
4-amino-3-chloro-N-[(1S)-1-cyclopentylethyl]benzamide
CID 81388850
3-chloro-N-(1-cyclobutylethyl)-4-iodobenzamide
CID 103222229
2-chloro-5-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride
CID 65370751
3,5-dichloro-N-(1-cyclopropylethyl)-4-methoxybenzamide
CID 134040755
5-chloro-N-(1-cyclopropylethyl)-2-hydroxybenzamide
CID 43401499
5,6-dichloro-N-(1-cyclopropylethyl)pyridine-3-carboxamide
CID 22830772
3-amino-4-chloro-N-[(1R)-1-cycloheptylethyl]benzamide
CID 81392061
3-chloro-N-(1-cyclopentylethyl)-4-nitrobenzamide
CID 82780449
methyl 2-[(3-chloro-4-hydroxybenzoyl)amino]propanoate
CID 60654193

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-cyclopropylethyl)-4-hydroxybenzamide?
The IUPAC name of 3-chloro-N-(1-cyclopropylethyl)-4-hydroxybenzamide (CID 42919481) is 3-chloro-N-(1-cyclopropylethyl)-4-hydroxybenzamide.
What is the SMILES notation for 3-chloro-N-(1-cyclopropylethyl)-4-hydroxybenzamide?
The canonical SMILES for 3-chloro-N-(1-cyclopropylethyl)-4-hydroxybenzamide is CC(NC(=O)c1ccc(O)c(Cl)c1)C1CC1.
What is the InChIKey of 3-chloro-N-(1-cyclopropylethyl)-4-hydroxybenzamide?
The InChIKey is GFILKRFCUQZYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-7(8-2-3-8)14-12(16)9-4-5-11(15)10(13)6-9/h4-8,15H,2-3H2,1H3,(H,14,16).
What are the key properties of 3-chloro-N-(1-cyclopropylethyl)-4-hydroxybenzamide?
3-chloro-N-(1-cyclopropylethyl)-4-hydroxybenzamide has a molecular weight of 239.70 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-cyclopropylethyl)-4-hydroxybenzamide is sourced from PubChem (CID 42919481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).