4-amino-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide

C12H15F3N2O — CID 62058859

IUPAC4-amino-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
SMILESNCCCC(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)10-5-3-9(4-6-10)8-17-11(18)2-1-7-16/h3-6H,1-2,7-8,16H2,(H,17,18)
InChIKeyNVDXQPFGBUDSCF-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.06
Rot. Bonds5

About 4-amino-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide

4-amino-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide (PubChem CID 62058859) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 4-amino-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
PubChem CID62058859
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name4-amino-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
SMILESNCCCC(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)10-5-3-9(4-6-10)8-17-11(18)2-1-7-16/h3-6H,1-2,7-8,16H2,(H,17,18)
InChIKeyNVDXQPFGBUDSCF-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The IUPAC name of 4-amino-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide (CID 62058859) is 4-amino-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 4-amino-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The canonical SMILES for 4-amino-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide is NCCCC(=O)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-amino-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The InChIKey is NVDXQPFGBUDSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-12(14,15)10-5-3-9(4-6-10)8-17-11(18)2-1-7-16/h3-6H,1-2,7-8,16H2,(H,17,18).
What are the key properties of 4-amino-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
4-amino-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide has a molecular weight of 260.26 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 62058859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).