N-(6-chlorohexyl)-3,5-dihydroxybenzamide

C13H18ClNO3 — CID 107847362

IUPACN-(6-chlorohexyl)-3,5-dihydroxybenzamide
SMILESO=C(NCCCCCCCl)c1cc(O)cc(O)c1
InChIInChI=1S/C13H18ClNO3/c14-5-3-1-2-4-6-15-13(18)10-7-11(16)9-12(17)8-10/h7-9,16-17H,1-6H2,(H,15,18)
InChIKeyBYCXAQYKDAOGRP-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.63
Rot. Bonds7

About N-(6-chlorohexyl)-3,5-dihydroxybenzamide

N-(6-chlorohexyl)-3,5-dihydroxybenzamide (PubChem CID 107847362) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is N-(6-chlorohexyl)-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(6-chlorohexyl)-3,5-dihydroxybenzamide
PubChem CID107847362
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC NameN-(6-chlorohexyl)-3,5-dihydroxybenzamide
SMILESO=C(NCCCCCCCl)c1cc(O)cc(O)c1
InChIInChI=1S/C13H18ClNO3/c14-5-3-1-2-4-6-15-13(18)10-7-11(16)9-12(17)8-10/h7-9,16-17H,1-6H2,(H,15,18)
InChIKeyBYCXAQYKDAOGRP-UHFFFAOYSA-N
XLogP2.63
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(6-chlorohexyl)-3,5-dihydroxybenzamide 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-(3-chloropropyl)-3,5-dihydroxybenzamide
CID 107705954
N-butyl-3,5-dihydroxybenzamide
CID 91715801
3,4-dichloro-N-(5-chloropentyl)benzamide
CID 107320915
3,5-dihydroxy-N-(3-methylsulfinylpropyl)benzamide
CID 103895676
5-bromo-N-(6-chlorohexyl)thiophene-3-carboxamide
CID 107966467
3-chloro-N-(5-chloropentyl)-4-methylbenzamide
CID 107321227
N-[2-[(3,5-dihydroxybenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide
CID 108540173
5-hydroxy-N-[5-[(5-hydroxypyridine-3-carbonyl)amino]pentyl]pyridine-3-carboxamide
CID 3309734
N-(6-chlorohexyl)-1H-pyrazole-4-carboxamide
CID 107846522
N-(4-chlorobutyl)-2,5-dihydroxybenzamide
CID 107726261
5-hydroxy-1-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 15027317
N-(5-chloropentyl)-3-(dimethylamino)benzamide
CID 107321118

Frequently Asked Questions

What is the IUPAC name of N-(6-chlorohexyl)-3,5-dihydroxybenzamide?
The IUPAC name of N-(6-chlorohexyl)-3,5-dihydroxybenzamide (CID 107847362) is N-(6-chlorohexyl)-3,5-dihydroxybenzamide.
What is the SMILES notation for N-(6-chlorohexyl)-3,5-dihydroxybenzamide?
The canonical SMILES for N-(6-chlorohexyl)-3,5-dihydroxybenzamide is O=C(NCCCCCCCl)c1cc(O)cc(O)c1.
What is the InChIKey of N-(6-chlorohexyl)-3,5-dihydroxybenzamide?
The InChIKey is BYCXAQYKDAOGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c14-5-3-1-2-4-6-15-13(18)10-7-11(16)9-12(17)8-10/h7-9,16-17H,1-6H2,(H,15,18).
What are the key properties of N-(6-chlorohexyl)-3,5-dihydroxybenzamide?
N-(6-chlorohexyl)-3,5-dihydroxybenzamide has a molecular weight of 271.74 g/mol, XLogP of 2.63, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chlorohexyl)-3,5-dihydroxybenzamide is sourced from PubChem (CID 107847362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).