4-amino-N-(3-methylcyclopentyl)-3-(trifluoromethyl)benzamide

C14H17F3N2O — CID 114540505

IUPAC4-amino-N-(3-methylcyclopentyl)-3-(trifluoromethyl)benzamide
SMILESCC1CCC(NC(=O)c2ccc(N)c(C(F)(F)F)c2)C1
InChIInChI=1S/C14H17F3N2O/c1-8-2-4-10(6-8)19-13(20)9-3-5-12(18)11(7-9)14(15,16)17/h3,5,7-8,10H,2,4,6,18H2,1H3,(H,19,20)
InChIKeyFCCUXTYQZUOQRX-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.21
Rot. Bonds2

About 4-amino-N-(3-methylcyclopentyl)-3-(trifluoromethyl)benzamide

4-amino-N-(3-methylcyclopentyl)-3-(trifluoromethyl)benzamide (PubChem CID 114540505) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 4-amino-N-(3-methylcyclopentyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(3-methylcyclopentyl)-3-(trifluoromethyl)benzamide
PubChem CID114540505
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name4-amino-N-(3-methylcyclopentyl)-3-(trifluoromethyl)benzamide
SMILESCC1CCC(NC(=O)c2ccc(N)c(C(F)(F)F)c2)C1
InChIInChI=1S/C14H17F3N2O/c1-8-2-4-10(6-8)19-13(20)9-3-5-12(18)11(7-9)14(15,16)17/h3,5,7-8,10H,2,4,6,18H2,1H3,(H,19,20)
InChIKeyFCCUXTYQZUOQRX-UHFFFAOYSA-N
XLogP3.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.21
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

4-amino-N-(4-methylcyclohexyl)-3-(trifluoromethyl)benzamide
CID 62153973
4-amino-N-(3-methylcyclopentyl)-3-nitrobenzamide
CID 114540566
4-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide
CID 63362160
3,5-diamino-N-(3-methylcyclopentyl)benzamide
CID 114542578
4-amino-N-methyl-3-(trifluoromethyl)benzamide
CID 62156394
3-amino-N-cyclobutyl-4-(trifluoromethyl)benzamide
CID 146047094
N-cyclopropyl-4-propan-2-yl-3-(trifluoromethyl)benzamide
CID 70841150
6-amino-N-(3-methylcyclopentyl)pyridine-3-carboxamide
CID 114540580
3-methyl-N-(3-methylcyclopentyl)benzamide
CID 114550136
N-cyclopentyl-4-methyl-3-(trifluoromethyl)benzamide;ethane
CID 143518769
3-bromo-4-chloro-N-(3-methylcyclopentyl)benzamide
CID 107989487
4-fluoro-N-(2-methyloxan-4-yl)-3-(trifluoromethyl)benzamide
CID 103888185

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-methylcyclopentyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-amino-N-(3-methylcyclopentyl)-3-(trifluoromethyl)benzamide (CID 114540505) is 4-amino-N-(3-methylcyclopentyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-amino-N-(3-methylcyclopentyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-amino-N-(3-methylcyclopentyl)-3-(trifluoromethyl)benzamide is CC1CCC(NC(=O)c2ccc(N)c(C(F)(F)F)c2)C1.
What is the InChIKey of 4-amino-N-(3-methylcyclopentyl)-3-(trifluoromethyl)benzamide?
The InChIKey is FCCUXTYQZUOQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-8-2-4-10(6-8)19-13(20)9-3-5-12(18)11(7-9)14(15,16)17/h3,5,7-8,10H,2,4,6,18H2,1H3,(H,19,20).
What are the key properties of 4-amino-N-(3-methylcyclopentyl)-3-(trifluoromethyl)benzamide?
4-amino-N-(3-methylcyclopentyl)-3-(trifluoromethyl)benzamide has a molecular weight of 286.30 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-methylcyclopentyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 114540505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).