N-[(4-chlorocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide

C14H15ClF3NO2 — CID 106134004

IUPACN-[(4-chlorocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
SMILESO=C(NCC1CCC(Cl)CC1)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C14H15ClF3NO2/c15-8-3-1-7(2-4-8)6-19-14(21)9-5-10(16)12(18)13(20)11(9)17/h5,7-8,20H,1-4,6H2,(H,19,21)
InChIKeyQXYFEFOVCFWKIH-UHFFFAOYSA-N
MW321.73 g/mol
LogP3.34
Rot. Bonds3

About N-[(4-chlorocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide

N-[(4-chlorocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide (PubChem CID 106134004) has the molecular formula C14H15ClF3NO2 and a molecular weight of 321.73 g/mol. Its IUPAC name is N-[(4-chlorocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[(4-chlorocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
PubChem CID106134004
Molecular FormulaC14H15ClF3NO2
Molecular Weight321.73 g/mol
Exact Mass321.07
IUPAC NameN-[(4-chlorocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
SMILESO=C(NCC1CCC(Cl)CC1)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C14H15ClF3NO2/c15-8-3-1-7(2-4-8)6-19-14(21)9-5-10(16)12(18)13(20)11(9)17/h5,7-8,20H,1-4,6H2,(H,19,21)
InChIKeyQXYFEFOVCFWKIH-UHFFFAOYSA-N
XLogP3.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.73
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-[(4-chlorocyclohexyl)methyl]-2,4,5-trifluoro-3-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

N-[(4-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 106124653
N-[(4-chlorocyclohexyl)methyl]-2,3-difluorobenzamide
CID 114147871
N-[(2-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 64928415
N-[(4-chlorocyclohexyl)methyl]-2,3-dihydroxybenzamide
CID 106133738
2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)benzamide
CID 43501008
4-chloro-N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide
CID 114146975
2-chloro-N-[(4-chlorocyclohexyl)methyl]-6-fluorobenzamide
CID 114147976
4-chloro-N-[(4-chlorocyclohexyl)methyl]-2-methylbenzamide
CID 106134057
3-bromo-N-[(4-chlorocyclohexyl)methyl]-5-fluorobenzamide
CID 106133673
N-(cyanomethyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 55026463
N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide
CID 106126996
3-bromo-N-[(4-chlorocyclohexyl)methyl]-4-fluorobenzamide
CID 114147917

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide?
The IUPAC name of N-[(4-chlorocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide (CID 106134004) is N-[(4-chlorocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide.
What is the SMILES notation for N-[(4-chlorocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide?
The canonical SMILES for N-[(4-chlorocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide is O=C(NCC1CCC(Cl)CC1)c1cc(F)c(F)c(O)c1F.
What is the InChIKey of N-[(4-chlorocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide?
The InChIKey is QXYFEFOVCFWKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3NO2/c15-8-3-1-7(2-4-8)6-19-14(21)9-5-10(16)12(18)13(20)11(9)17/h5,7-8,20H,1-4,6H2,(H,19,21).
What are the key properties of N-[(4-chlorocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide?
N-[(4-chlorocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide has a molecular weight of 321.73 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide is sourced from PubChem (CID 106134004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).