2-chloro-N-(4-cyanobutyl)-5-hydroxybenzamide

C12H13ClN2O2 — CID 106501017

IUPAC2-chloro-N-(4-cyanobutyl)-5-hydroxybenzamide
SMILESN#CCCCCNC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C12H13ClN2O2/c13-11-5-4-9(16)8-10(11)12(17)15-7-3-1-2-6-14/h4-5,8,16H,1-3,7H2,(H,15,17)
InChIKeyBMDKYIMCPYGSDA-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.47
Rot. Bonds5

About 2-chloro-N-(4-cyanobutyl)-5-hydroxybenzamide

2-chloro-N-(4-cyanobutyl)-5-hydroxybenzamide (PubChem CID 106501017) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 2-chloro-N-(4-cyanobutyl)-5-hydroxybenzamide.

Molecular Properties

Compound Name2-chloro-N-(4-cyanobutyl)-5-hydroxybenzamide
PubChem CID106501017
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name2-chloro-N-(4-cyanobutyl)-5-hydroxybenzamide
SMILESN#CCCCCNC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C12H13ClN2O2/c13-11-5-4-9(16)8-10(11)12(17)15-7-3-1-2-6-14/h4-5,8,16H,1-3,7H2,(H,15,17)
InChIKeyBMDKYIMCPYGSDA-UHFFFAOYSA-N
XLogP2.47
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-chloro-N-(4-cyanobutyl)-5-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

2-chloro-N-hex-5-ynyl-5-hydroxybenzamide
CID 106209889
N-(4-cyanobutyl)-4-hydroxy-2-methylbenzamide
CID 103865446
N-(5-bromopentyl)-2-chloro-5-hydroxybenzamide
CID 107321908
N-(4-aminopentyl)-2-chloro-5-hydroxybenzamide
CID 114146404
2-chloro-N-(3-cyanopropyl)benzamide
CID 62666629
4-chloro-N-(4-cyanobutyl)-3-fluorobenzamide
CID 113343444
2-chloro-5-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 106502576
2-chloro-5-hydroxy-N-(3-sulfamoylpropyl)benzamide
CID 106501692
3,6-dichloro-N-(4-cyanobutyl)pyridine-2-carboxamide
CID 63284311
2-chloro-N-(3-cyanopropyl)-4-methylbenzamide
CID 103581973
N-(3-butoxypropyl)-2-chloro-5-hydroxybenzamide
CID 106502163
2-chloro-5-hydroxy-N-(3-phenoxypropyl)benzamide
CID 106501748

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-cyanobutyl)-5-hydroxybenzamide?
The IUPAC name of 2-chloro-N-(4-cyanobutyl)-5-hydroxybenzamide (CID 106501017) is 2-chloro-N-(4-cyanobutyl)-5-hydroxybenzamide.
What is the SMILES notation for 2-chloro-N-(4-cyanobutyl)-5-hydroxybenzamide?
The canonical SMILES for 2-chloro-N-(4-cyanobutyl)-5-hydroxybenzamide is N#CCCCCNC(=O)c1cc(O)ccc1Cl.
What is the InChIKey of 2-chloro-N-(4-cyanobutyl)-5-hydroxybenzamide?
The InChIKey is BMDKYIMCPYGSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c13-11-5-4-9(16)8-10(11)12(17)15-7-3-1-2-6-14/h4-5,8,16H,1-3,7H2,(H,15,17).
What are the key properties of 2-chloro-N-(4-cyanobutyl)-5-hydroxybenzamide?
2-chloro-N-(4-cyanobutyl)-5-hydroxybenzamide has a molecular weight of 252.70 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-cyanobutyl)-5-hydroxybenzamide is sourced from PubChem (CID 106501017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).