N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2-cyclopentylacetamide

C15H19F3N2O — CID 65482981

IUPACN-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2-cyclopentylacetamide
SMILESNCc1ccc(NC(=O)CC2CCCC2)cc1C(F)(F)F
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)13-8-12(6-5-11(13)9-19)20-14(21)7-10-3-1-2-4-10/h5-6,8,10H,1-4,7,9,19H2,(H,20,21)
InChIKeySRNSULJLWRMUJT-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.68
Rot. Bonds4

About N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2-cyclopentylacetamide

N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2-cyclopentylacetamide (PubChem CID 65482981) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2-cyclopentylacetamide
PubChem CID65482981
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC NameN-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2-cyclopentylacetamide
SMILESNCc1ccc(NC(=O)CC2CCCC2)cc1C(F)(F)F
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)13-8-12(6-5-11(13)9-19)20-14(21)7-10-3-1-2-4-10/h5-6,8,10H,1-4,7,9,19H2,(H,20,21)
InChIKeySRNSULJLWRMUJT-UHFFFAOYSA-N
XLogP3.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 65484926
N-(3-amino-4-ethylphenyl)-2-cyclohexylacetamide
CID 43550224
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 79156712
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-3-methylpentanamide
CID 114873414
2-cyclopropyl-N-[4-(N'-hydroxycarbamimidoyl)-3-(trifluoromethyl)phenyl]acetamide
CID 77070362
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-3-propoxypropanamide
CID 65483564
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2,2-dimethylbutanamide
CID 65485514
N-(3-amino-4-fluorophenyl)-2-cyclobutylacetamide
CID 103805248
N-(1,3-benzodioxol-5-yl)-2-cyclohexylacetamide
CID 1072428
N-(3-amino-4-methylphenyl)-2-cyclohexylacetamide
CID 43209699
N-(4-chloro-3-hydroxyphenyl)-2-cyclopentylacetamide
CID 64788662
2-cyclopentyl-N-(4-iodophenyl)acetamide
CID 2677478

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2-cyclopentylacetamide?
The IUPAC name of N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2-cyclopentylacetamide (CID 65482981) is N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2-cyclopentylacetamide.
What is the SMILES notation for N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2-cyclopentylacetamide?
The canonical SMILES for N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2-cyclopentylacetamide is NCc1ccc(NC(=O)CC2CCCC2)cc1C(F)(F)F.
What is the InChIKey of N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2-cyclopentylacetamide?
The InChIKey is SRNSULJLWRMUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c16-15(17,18)13-8-12(6-5-11(13)9-19)20-14(21)7-10-3-1-2-4-10/h5-6,8,10H,1-4,7,9,19H2,(H,20,21).
What are the key properties of N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2-cyclopentylacetamide?
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2-cyclopentylacetamide has a molecular weight of 300.32 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2-cyclopentylacetamide is sourced from PubChem (CID 65482981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).