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

C14H19F3N2O — CID 63051555

IUPACN,N-diethyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
SMILESCCN(CC)C(=O)C(C)NCc1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H19F3N2O/c1-4-19(5-2)14(20)9(3)18-8-10-6-11(15)13(17)12(16)7-10/h6-7,9,18H,4-5,8H2,1-3H3
InChIKeyPDGJQTRMICDCIZ-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.45
Rot. Bonds6

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

N,N-diethyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide (PubChem CID 63051555) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is N,N-diethyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
PubChem CID63051555
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC NameN,N-diethyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
SMILESCCN(CC)C(=O)C(C)NCc1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H19F3N2O/c1-4-19(5-2)14(20)9(3)18-8-10-6-11(15)13(17)12(16)7-10/h6-7,9,18H,4-5,8H2,1-3H3
InChIKeyPDGJQTRMICDCIZ-UHFFFAOYSA-N
XLogP2.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-[(4-fluorophenyl)methylamino]propanamide
CID 43112620
(2S)-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 94999647
methyl 2-[(3,4,5-trifluorophenyl)methylamino]propanoate
CID 63051404
2-(benzylamino)-N,N-diethylpropanamide
CID 43112479
N,N-diethyl-2-[(4-ethylphenyl)methylamino]propanamide
CID 43739384
N-propyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 63050518
2-[(4-bromo-3-methylphenyl)methylamino]-N,N-diethylpropanamide
CID 66473610
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N,N-diethylpropanamide
CID 43424955
(2S)-3-methyl-2-[(3,4,5-trifluorophenyl)methylamino]butanoic acid
CID 120510673
N,N-diethyl-2-[(4-methoxy-3-methylphenyl)methylamino]propanamide
CID 43789807
2-[(3-bromo-4-methoxyphenyl)methylamino]-N,N-diethylpropanamide
CID 43789766
(2S)-2-[(3,4,5-trifluorophenyl)methylamino]propan-1-ol
CID 94999639

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide?
The IUPAC name of N,N-diethyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide (CID 63051555) is N,N-diethyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide.
What is the SMILES notation for N,N-diethyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide?
The canonical SMILES for N,N-diethyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide is CCN(CC)C(=O)C(C)NCc1cc(F)c(F)c(F)c1.
What is the InChIKey of N,N-diethyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide?
The InChIKey is PDGJQTRMICDCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-4-19(5-2)14(20)9(3)18-8-10-6-11(15)13(17)12(16)7-10/h6-7,9,18H,4-5,8H2,1-3H3.
What are the key properties of N,N-diethyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide?
N,N-diethyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide has a molecular weight of 288.31 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide is sourced from PubChem (CID 63051555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).