3-(2-aminophenyl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide

C16H21F3N2O — CID 120608500

IUPAC3-(2-aminophenyl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide
SMILESNc1ccccc1CCC(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H21F3N2O/c17-16(18,19)12-5-3-6-13(10-12)21-15(22)9-8-11-4-1-2-7-14(11)20/h1-2,4,7,12-13H,3,5-6,8-10,20H2,(H,21,22)
InChIKeyJXVSJFDQJVXKKC-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.44
Rot. Bonds4

About 3-(2-aminophenyl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide

3-(2-aminophenyl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide (PubChem CID 120608500) has the molecular formula C16H21F3N2O and a molecular weight of 314.35 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide
PubChem CID120608500
Molecular FormulaC16H21F3N2O
Molecular Weight314.35 g/mol
Exact Mass314.16
IUPAC Name3-(2-aminophenyl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide
SMILESNc1ccccc1CCC(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H21F3N2O/c17-16(18,19)12-5-3-6-13(10-12)21-15(22)9-8-11-4-1-2-7-14(11)20/h1-2,4,7,12-13H,3,5-6,8-10,20H2,(H,21,22)
InChIKeyJXVSJFDQJVXKKC-UHFFFAOYSA-N
XLogP3.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-hydroxyphenyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propanamide
CID 31061764
3-(2-aminophenyl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide
CID 120608522
3-(2-aminophenyl)-N-(3-ethylsulfanylcyclohexyl)propanamide;hydrochloride
CID 120611790
N-[3-oxo-3-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide
CID 18147759
3-(1,3-benzothiazol-2-yl)-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]propanamide
CID 51930213
2-(4-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 47021134
4-[3-(2-aminophenyl)propanoylamino]cyclohexane-1-carboxamide
CID 107272785
3-(2-aminophenyl)-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 120610600
3-(2-aminophenyl)-N-(3-ethylsulfanylcyclopentyl)propanamide
CID 107329607
2-(2-benzylphenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 18147791
3-[4-(difluoromethoxy)phenyl]-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 78848521
3-(2-aminophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 125118161

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide (CID 120608500) is 3-(2-aminophenyl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide is Nc1ccccc1CCC(=O)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3-(2-aminophenyl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide?
The InChIKey is JXVSJFDQJVXKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O/c17-16(18,19)12-5-3-6-13(10-12)21-15(22)9-8-11-4-1-2-7-14(11)20/h1-2,4,7,12-13H,3,5-6,8-10,20H2,(H,21,22).
What are the key properties of 3-(2-aminophenyl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide?
3-(2-aminophenyl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide has a molecular weight of 314.35 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide is sourced from PubChem (CID 120608500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).