N-propyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide

C13H17F3N2O — CID 63050518

IUPACN-propyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
SMILESCCCNC(=O)C(C)NCc1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H17F3N2O/c1-3-4-17-13(19)8(2)18-7-9-5-10(14)12(16)11(15)6-9/h5-6,8,18H,3-4,7H2,1-2H3,(H,17,19)
InChIKeySCCAKXWADMARCW-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.11
Rot. Bonds6

About N-propyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide

N-propyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide (PubChem CID 63050518) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is N-propyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-propyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
PubChem CID63050518
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC NameN-propyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
SMILESCCCNC(=O)C(C)NCc1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H17F3N2O/c1-3-4-17-13(19)8(2)18-7-9-5-10(14)12(16)11(15)6-9/h5-6,8,18H,3-4,7H2,1-2H3,(H,17,19)
InChIKeySCCAKXWADMARCW-UHFFFAOYSA-N
XLogP2.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[(3-fluoro-4-methylphenyl)methylamino]-N-propylpropanamide
CID 60702818
2-[(3-chloro-5-fluorophenyl)methylamino]-N-propylpropanamide
CID 114452378
2-[(3-bromo-4-fluorophenyl)methylamino]-N-propylpropanamide
CID 43221804
(2S)-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 94999647
2-[(5-fluoro-3-pyridinyl)methylamino]-N-propylpropanamide
CID 104953387
N-(furan-2-ylmethyl)-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 119129013
methyl 2-[(3,4,5-trifluorophenyl)methylamino]propanoate
CID 63051404
N,N-diethyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 63051555
N-propyl-2-[(2,4,6-trimethylphenyl)methylamino]propanamide
CID 43221777
2-[(4-iodophenyl)methylamino]-N-propylpropanamide
CID 65477779
2-[(4-cyano-2,6-difluorophenyl)methylamino]-N-propylpropanamide
CID 107037878
2-[(4-acetamidophenyl)methylamino]-N-propylpropanamide
CID 43224047

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide?
The IUPAC name of N-propyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide (CID 63050518) is N-propyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide.
What is the SMILES notation for N-propyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide?
The canonical SMILES for N-propyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide is CCCNC(=O)C(C)NCc1cc(F)c(F)c(F)c1.
What is the InChIKey of N-propyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide?
The InChIKey is SCCAKXWADMARCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-3-4-17-13(19)8(2)18-7-9-5-10(14)12(16)11(15)6-9/h5-6,8,18H,3-4,7H2,1-2H3,(H,17,19).
What are the key properties of N-propyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide?
N-propyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide has a molecular weight of 274.29 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide is sourced from PubChem (CID 63050518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).