N-(3-amino-5-fluorophenyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide

C14H16F4N2O — CID 107333937

IUPACN-(3-amino-5-fluorophenyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESNc1cc(F)cc(NC(=O)C2CCC(C(F)(F)F)CC2)c1
InChIInChI=1S/C14H16F4N2O/c15-10-5-11(19)7-12(6-10)20-13(21)8-1-3-9(4-2-8)14(16,17)18/h5-9H,1-4,19H2,(H,20,21)
InChIKeyCBLNMNFUCDXXSB-UHFFFAOYSA-N
MW304.29 g/mol
LogP3.72
Rot. Bonds2

About N-(3-amino-5-fluorophenyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide

N-(3-amino-5-fluorophenyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 107333937) has the molecular formula C14H16F4N2O and a molecular weight of 304.29 g/mol. Its IUPAC name is N-(3-amino-5-fluorophenyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-5-fluorophenyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID107333937
Molecular FormulaC14H16F4N2O
Molecular Weight304.29 g/mol
Exact Mass304.12
IUPAC NameN-(3-amino-5-fluorophenyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESNc1cc(F)cc(NC(=O)C2CCC(C(F)(F)F)CC2)c1
InChIInChI=1S/C14H16F4N2O/c15-10-5-11(19)7-12(6-10)20-13(21)8-1-3-9(4-2-8)14(16,17)18/h5-9H,1-4,19H2,(H,20,21)
InChIKeyCBLNMNFUCDXXSB-UHFFFAOYSA-N
XLogP3.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-amino-5-fluorophenyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide 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-amino-5-fluorophenyl)-4-tert-butylcyclohexane-1-carboxamide
CID 107333878
N-(3-fluoro-5-methylphenyl)cyclopropanecarboxamide
CID 79047928
N-(3,5-difluorophenyl)piperidine-4-carboxamide
CID 18072624
N-(3-amino-5-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 107334050
N-(3-bromo-5-fluorophenyl)cyclobutanecarboxamide
CID 124505704
N-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106832051
4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109150694
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
N-[3-acetamido-5-[(4-tert-butylcyclohexanecarbonyl)amino]phenyl]-4-tert-butylcyclohexane-1-carboxamide
CID 130404848
(2S,4S)-N-(3,5-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 120619158
N-(3-amino-5-fluorophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 107334144
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 47081962

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-5-fluorophenyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(3-amino-5-fluorophenyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide (CID 107333937) is N-(3-amino-5-fluorophenyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-amino-5-fluorophenyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(3-amino-5-fluorophenyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide is Nc1cc(F)cc(NC(=O)C2CCC(C(F)(F)F)CC2)c1.
What is the InChIKey of N-(3-amino-5-fluorophenyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is CBLNMNFUCDXXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4N2O/c15-10-5-11(19)7-12(6-10)20-13(21)8-1-3-9(4-2-8)14(16,17)18/h5-9H,1-4,19H2,(H,20,21).
What are the key properties of N-(3-amino-5-fluorophenyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(3-amino-5-fluorophenyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 304.29 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-5-fluorophenyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 107333937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).