2-chloro-4-fluoro-5-[hydroxy(methyl)amino]-N-[4-(trifluoromethyl)cyclohexyl]benzamide

C15H17ClF4N2O2 — CID 91153594

IUPAC2-chloro-4-fluoro-5-[hydroxy(methyl)amino]-N-[4-(trifluoromethyl)cyclohexyl]benzamide
SMILESCN(O)c1cc(C(=O)NC2CCC(C(F)(F)F)CC2)c(Cl)cc1F
InChIInChI=1S/C15H17ClF4N2O2/c1-22(24)13-6-10(11(16)7-12(13)17)14(23)21-9-4-2-8(3-5-9)15(18,19)20/h6-9,24H,2-5H2,1H3,(H,21,23)
InChIKeyNVARFLXQPZJXGX-UHFFFAOYSA-N
MW368.76 g/mol
LogP4.16
Rot. Bonds3

About 2-chloro-4-fluoro-5-[hydroxy(methyl)amino]-N-[4-(trifluoromethyl)cyclohexyl]benzamide

2-chloro-4-fluoro-5-[hydroxy(methyl)amino]-N-[4-(trifluoromethyl)cyclohexyl]benzamide (PubChem CID 91153594) has the molecular formula C15H17ClF4N2O2 and a molecular weight of 368.76 g/mol. Its IUPAC name is 2-chloro-4-fluoro-5-[hydroxy(methyl)amino]-N-[4-(trifluoromethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-5-[hydroxy(methyl)amino]-N-[4-(trifluoromethyl)cyclohexyl]benzamide
PubChem CID91153594
Molecular FormulaC15H17ClF4N2O2
Molecular Weight368.76 g/mol
Exact Mass368.09
IUPAC Name2-chloro-4-fluoro-5-[hydroxy(methyl)amino]-N-[4-(trifluoromethyl)cyclohexyl]benzamide
SMILESCN(O)c1cc(C(=O)NC2CCC(C(F)(F)F)CC2)c(Cl)cc1F
InChIInChI=1S/C15H17ClF4N2O2/c1-22(24)13-6-10(11(16)7-12(13)17)14(23)21-9-4-2-8(3-5-9)15(18,19)20/h6-9,24H,2-5H2,1H3,(H,21,23)
InChIKeyNVARFLXQPZJXGX-UHFFFAOYSA-N
XLogP4.16
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.76
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-4-fluoro-5-[hydroxy(methyl)amino]-N-[4-(trifluoromethyl)cyclohexyl]benzamide 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-4,5-difluoro-N-piperidin-4-ylbenzamide
CID 119388800
4-amino-5-chloro-2-methoxy-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 119701825
2-chloro-4,5-difluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 17173512
2-fluoro-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 80710862
2-chloro-N-(3,3-dimethylcyclopentyl)-4,5-difluorobenzamide
CID 115880901
5-bromo-2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
CID 62001027
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
CID 60727535
2-(2,6-dichloroanilino)-6-fluoro-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
CID 45137757
2-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 61213533
2-chloro-N-cyclohexyl-5-(2-fluoropropan-2-yl)benzamide
CID 167056111
3-bromo-4-fluoro-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 103706617

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-5-[hydroxy(methyl)amino]-N-[4-(trifluoromethyl)cyclohexyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-5-[hydroxy(methyl)amino]-N-[4-(trifluoromethyl)cyclohexyl]benzamide (CID 91153594) is 2-chloro-4-fluoro-5-[hydroxy(methyl)amino]-N-[4-(trifluoromethyl)cyclohexyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-5-[hydroxy(methyl)amino]-N-[4-(trifluoromethyl)cyclohexyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-5-[hydroxy(methyl)amino]-N-[4-(trifluoromethyl)cyclohexyl]benzamide is CN(O)c1cc(C(=O)NC2CCC(C(F)(F)F)CC2)c(Cl)cc1F.
What is the InChIKey of 2-chloro-4-fluoro-5-[hydroxy(methyl)amino]-N-[4-(trifluoromethyl)cyclohexyl]benzamide?
The InChIKey is NVARFLXQPZJXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF4N2O2/c1-22(24)13-6-10(11(16)7-12(13)17)14(23)21-9-4-2-8(3-5-9)15(18,19)20/h6-9,24H,2-5H2,1H3,(H,21,23).
What are the key properties of 2-chloro-4-fluoro-5-[hydroxy(methyl)amino]-N-[4-(trifluoromethyl)cyclohexyl]benzamide?
2-chloro-4-fluoro-5-[hydroxy(methyl)amino]-N-[4-(trifluoromethyl)cyclohexyl]benzamide has a molecular weight of 368.76 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-5-[hydroxy(methyl)amino]-N-[4-(trifluoromethyl)cyclohexyl]benzamide is sourced from PubChem (CID 91153594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).