3-(2-aminophenyl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide

C16H21F3N2O — CID 120608522

IUPAC3-(2-aminophenyl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide
SMILESNc1ccccc1CCC(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H21F3N2O/c17-16(18,19)12-6-8-13(9-7-12)21-15(22)10-5-11-3-1-2-4-14(11)20/h1-4,12-13H,5-10,20H2,(H,21,22)
InChIKeyARACLFIQSKXTPY-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.44
Rot. Bonds4

About 3-(2-aminophenyl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide

3-(2-aminophenyl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide (PubChem CID 120608522) has the molecular formula C16H21F3N2O and a molecular weight of 314.35 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide
PubChem CID120608522
Molecular FormulaC16H21F3N2O
Molecular Weight314.35 g/mol
Exact Mass314.16
IUPAC Name3-(2-aminophenyl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide
SMILESNc1ccccc1CCC(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H21F3N2O/c17-16(18,19)12-6-8-13(9-7-12)21-15(22)10-5-11-3-1-2-4-14(11)20/h1-4,12-13H,5-10,20H2,(H,21,22)
InChIKeyARACLFIQSKXTPY-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-aminophenyl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 120608500
4-[3-(2-aminophenyl)propanoylamino]cyclohexane-1-carboxamide
CID 107272785
3-(2-aminophenyl)-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 120610600
3-(2-aminophenyl)-N-(4-propan-2-ylcyclohexyl)propanamide;hydrochloride
CID 120611579
4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbutanamide;hydrochloride
CID 120609190
3-(2-aminophenyl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)propanamide
CID 120611650
3-(2-aminophenyl)-N-(1-phenylpiperidin-4-yl)propanamide
CID 120612685
3-(2-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide;dihydrochloride
CID 120612227
2-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 61213533
3-(2-aminophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 120608479
3-(2-aminophenyl)-N-(3-ethylsulfanylcyclopentyl)propanamide
CID 107329607
3-(2-aminophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 120612241

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide (CID 120608522) is 3-(2-aminophenyl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide is Nc1ccccc1CCC(=O)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 3-(2-aminophenyl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide?
The InChIKey is ARACLFIQSKXTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O/c17-16(18,19)12-6-8-13(9-7-12)21-15(22)10-5-11-3-1-2-4-14(11)20/h1-4,12-13H,5-10,20H2,(H,21,22).
What are the key properties of 3-(2-aminophenyl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide?
3-(2-aminophenyl)-N-[4-(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-[4-(trifluoromethyl)cyclohexyl]propanamide is sourced from PubChem (CID 120608522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).