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

C17H23F3N2O — CID 119603353

IUPACN-[2-(aminomethyl)cyclopentyl]-3-[4-(trifluoromethyl)phenyl]butanamide
SMILESCC(CC(=O)NC1CCCC1CN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H23F3N2O/c1-11(12-5-7-14(8-6-12)17(18,19)20)9-16(23)22-15-4-2-3-13(15)10-21/h5-8,11,13,15H,2-4,9-10,21H2,1H3,(H,22,23)
InChIKeyRFSXPKWLALYCFW-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.44
Rot. Bonds5

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

N-[2-(aminomethyl)cyclopentyl]-3-[4-(trifluoromethyl)phenyl]butanamide (PubChem CID 119603353) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-[4-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-[4-(trifluoromethyl)phenyl]butanamide
PubChem CID119603353
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-[4-(trifluoromethyl)phenyl]butanamide
SMILESCC(CC(=O)NC1CCCC1CN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H23F3N2O/c1-11(12-5-7-14(8-6-12)17(18,19)20)9-16(23)22-15-4-2-3-13(15)10-21/h5-8,11,13,15H,2-4,9-10,21H2,1H3,(H,22,23)
InChIKeyRFSXPKWLALYCFW-UHFFFAOYSA-N
XLogP3.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-amino-3-(4''-fluorobiphenyl-4-yl)-1-((S)-3-fluoropyrrolidin-1-yl)butan-1-one
CID 9884543
Phenylalanine derived inhibitor, 4
CID 23647692
(2S,3S)-3-(4-fluorophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895801
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-[4-(trifluoromethyl)phenyl]butan-2-aminium; 2,2,2-trifluoroacetate
CID 91895805
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-(4-phenylphenyl)butan-2-aminium; 2,2,2-trifluoroacetate
CID 91895808
(2S,3S)-3-[4-(2-fluorophenyl)phenyl]-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895817
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-{4-[2-(trifluoromethyl)phenyl]phenyl}butan-2-aminium; 2,2,2-trifluoroacetate
CID 91895820
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-{4-[4-(trifluoromethyl)phenyl]phenyl}butan-2-aminium; 2,2,2-trifluoroacetate
CID 91895829
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-3-[4-(4-methylphenyl)phenyl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895831
(2S,3S)-3-[4-(3,5-difluorophenyl)phenyl]-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895836
(2S,3S)-3-[4-(2,5-difluorophenyl)phenyl]-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895837
(2S,3S)-3-[4-(3,4-difluorophenyl)phenyl]-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895838

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-[4-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-[4-(trifluoromethyl)phenyl]butanamide (CID 119603353) is N-[2-(aminomethyl)cyclopentyl]-3-[4-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-[4-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-[4-(trifluoromethyl)phenyl]butanamide is CC(CC(=O)NC1CCCC1CN)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-[4-(trifluoromethyl)phenyl]butanamide?
The InChIKey is RFSXPKWLALYCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O/c1-11(12-5-7-14(8-6-12)17(18,19)20)9-16(23)22-15-4-2-3-13(15)10-21/h5-8,11,13,15H,2-4,9-10,21H2,1H3,(H,22,23).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-[4-(trifluoromethyl)phenyl]butanamide?
N-[2-(aminomethyl)cyclopentyl]-3-[4-(trifluoromethyl)phenyl]butanamide has a molecular weight of 328.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3-[4-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 119603353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).