3-chloro-N-cyclopropyl-4-hydroxy-N-propylbenzamide

C13H16ClNO2 — CID 43270676

IUPAC3-chloro-N-cyclopropyl-4-hydroxy-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(O)c(Cl)c1)C1CC1
InChIInChI=1S/C13H16ClNO2/c1-2-7-15(10-4-5-10)13(17)9-3-6-12(16)11(14)8-9/h3,6,8,10,16H,2,4-5,7H2,1H3
InChIKeyRXOGAKBDXYYUKY-UHFFFAOYSA-N
MW253.73 g/mol
LogP3.06
Rot. Bonds4

About 3-chloro-N-cyclopropyl-4-hydroxy-N-propylbenzamide

3-chloro-N-cyclopropyl-4-hydroxy-N-propylbenzamide (PubChem CID 43270676) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 3-chloro-N-cyclopropyl-4-hydroxy-N-propylbenzamide.

Molecular Properties

Compound Name3-chloro-N-cyclopropyl-4-hydroxy-N-propylbenzamide
PubChem CID43270676
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name3-chloro-N-cyclopropyl-4-hydroxy-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(O)c(Cl)c1)C1CC1
InChIInChI=1S/C13H16ClNO2/c1-2-7-15(10-4-5-10)13(17)9-3-6-12(16)11(14)8-9/h3,6,8,10,16H,2,4-5,7H2,1H3
InChIKeyRXOGAKBDXYYUKY-UHFFFAOYSA-N
XLogP3.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-N-cyclopropyl-4-hydroxy-N-propylbenzamide 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-4-hydroxy-N-methyl-N-propylbenzamide
CID 43271538
3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propylbenzamide
CID 60654225
N-(4-aminocyclohexyl)-3-bromo-4-chloro-N-propylbenzamide
CID 107990599
2-[(3-chloro-4-hydroxybenzoyl)-cyclopentylamino]acetic acid
CID 60826765
3,4-dichloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide
CID 65386602
3-chloro-N-cyclopropyl-4-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 56702352
4-bromo-3-chloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide
CID 81290681
3-chloro-N-cycloheptyl-4-hydroxy-N-methylbenzamide
CID 43409239
3-chloro-4-hydroxy-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110979
N-cyclopropyl-3-methyl-4-(methylamino)-N-propylbenzamide
CID 63210089
5-chloro-N-cyclopropyl-6-hydrazinyl-N-propylpyridine-3-carboxamide
CID 62243745
N-cyclopropyl-5-fluoro-2-hydroxy-N-propylbenzamide
CID 115298911

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopropyl-4-hydroxy-N-propylbenzamide?
The IUPAC name of 3-chloro-N-cyclopropyl-4-hydroxy-N-propylbenzamide (CID 43270676) is 3-chloro-N-cyclopropyl-4-hydroxy-N-propylbenzamide.
What is the SMILES notation for 3-chloro-N-cyclopropyl-4-hydroxy-N-propylbenzamide?
The canonical SMILES for 3-chloro-N-cyclopropyl-4-hydroxy-N-propylbenzamide is CCCN(C(=O)c1ccc(O)c(Cl)c1)C1CC1.
What is the InChIKey of 3-chloro-N-cyclopropyl-4-hydroxy-N-propylbenzamide?
The InChIKey is RXOGAKBDXYYUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-2-7-15(10-4-5-10)13(17)9-3-6-12(16)11(14)8-9/h3,6,8,10,16H,2,4-5,7H2,1H3.
What are the key properties of 3-chloro-N-cyclopropyl-4-hydroxy-N-propylbenzamide?
3-chloro-N-cyclopropyl-4-hydroxy-N-propylbenzamide has a molecular weight of 253.73 g/mol, XLogP of 3.06, 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-4-hydroxy-N-propylbenzamide is sourced from PubChem (CID 43270676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).