(3R)-N-(4-amino-4-oxobutyl)-3-[4-(trifluoromethyl)phenyl]butanamide

C15H19F3N2O2 — CID 94676198

IUPAC(3R)-N-(4-amino-4-oxobutyl)-3-[4-(trifluoromethyl)phenyl]butanamide
SMILESC[C@H](CC(=O)NCCCC(N)=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O2/c1-10(9-14(22)20-8-2-3-13(19)21)11-4-6-12(7-5-11)15(16,17)18/h4-7,10H,2-3,8-9H2,1H3,(H2,19,21)(H,20,22)/t10-/m1/s1
InChIKeyHRRIDOKCKGOVHN-SNVBAGLBSA-N
MW316.32 g/mol
LogP2.58
Rot. Bonds7

About (3R)-N-(4-amino-4-oxobutyl)-3-[4-(trifluoromethyl)phenyl]butanamide

(3R)-N-(4-amino-4-oxobutyl)-3-[4-(trifluoromethyl)phenyl]butanamide (PubChem CID 94676198) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is (3R)-N-(4-amino-4-oxobutyl)-3-[4-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name(3R)-N-(4-amino-4-oxobutyl)-3-[4-(trifluoromethyl)phenyl]butanamide
PubChem CID94676198
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name(3R)-N-(4-amino-4-oxobutyl)-3-[4-(trifluoromethyl)phenyl]butanamide
SMILESC[C@H](CC(=O)NCCCC(N)=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O2/c1-10(9-14(22)20-8-2-3-13(19)21)11-4-6-12(7-5-11)15(16,17)18/h4-7,10H,2-3,8-9H2,1H3,(H2,19,21)(H,20,22)/t10-/m1/s1
InChIKeyHRRIDOKCKGOVHN-SNVBAGLBSA-N
XLogP2.58
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[3-[4-(trifluoromethyl)phenyl]butanoylamino]ethyl]carbamate
CID 71685048
N-(3-piperazin-1-ylpropyl)-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119392989
N-(2-amino-2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide
CID 119528728
N-(3-morpholin-4-yl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]butanamide
CID 51125754
4-[[(3R)-3-(4-fluorophenyl)butanoyl]amino]butanoic acid
CID 99849251
N-(3-aminopropyl)-3-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119405227
3-[3-[4-(trifluoromethyl)phenyl]butanoylamino]butanoic acid
CID 119221603
N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-3-[4-(trifluoromethyl)phenyl]butanamide
CID 56520412
(3S)-N-(3-acetamidopropyl)-3-[3-(trifluoromethyl)phenyl]butanamide
CID 95632661
3-(4-fluorophenyl)-N-(3-hydroxypropyl)butanamide
CID 110901174
N-(2-piperidin-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide
CID 119557662
N-(4-aminobutyl)-3-(4-aminophenyl)butanamide
CID 104502429

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-amino-4-oxobutyl)-3-[4-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of (3R)-N-(4-amino-4-oxobutyl)-3-[4-(trifluoromethyl)phenyl]butanamide (CID 94676198) is (3R)-N-(4-amino-4-oxobutyl)-3-[4-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for (3R)-N-(4-amino-4-oxobutyl)-3-[4-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for (3R)-N-(4-amino-4-oxobutyl)-3-[4-(trifluoromethyl)phenyl]butanamide is C[C@H](CC(=O)NCCCC(N)=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (3R)-N-(4-amino-4-oxobutyl)-3-[4-(trifluoromethyl)phenyl]butanamide?
The InChIKey is HRRIDOKCKGOVHN-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-10(9-14(22)20-8-2-3-13(19)21)11-4-6-12(7-5-11)15(16,17)18/h4-7,10H,2-3,8-9H2,1H3,(H2,19,21)(H,20,22)/t10-/m1/s1.
What are the key properties of (3R)-N-(4-amino-4-oxobutyl)-3-[4-(trifluoromethyl)phenyl]butanamide?
(3R)-N-(4-amino-4-oxobutyl)-3-[4-(trifluoromethyl)phenyl]butanamide has a molecular weight of 316.32 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-amino-4-oxobutyl)-3-[4-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 94676198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).