N-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide

C14H18F4N2O — CID 103107033

IUPACN-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C14H18F4N2O/c1-4-20(3)13(21)9(2)19-8-10-5-6-11(15)7-12(10)14(16,17)18/h5-7,9,19H,4,8H2,1-3H3
InChIKeyBRXOAQRGFNGMPD-UHFFFAOYSA-N
MW306.30 g/mol
LogP2.80
Rot. Bonds5

About N-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide

N-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide (PubChem CID 103107033) has the molecular formula C14H18F4N2O and a molecular weight of 306.30 g/mol. Its IUPAC name is N-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide
PubChem CID103107033
Molecular FormulaC14H18F4N2O
Molecular Weight306.30 g/mol
Exact Mass306.14
IUPAC NameN-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C14H18F4N2O/c1-4-20(3)13(21)9(2)19-8-10-5-6-11(15)7-12(10)14(16,17)18/h5-7,9,19H,4,8H2,1-3H3
InChIKeyBRXOAQRGFNGMPD-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]-N-methylpropanamide
CID 103275902
N-ethyl-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide
CID 103108692
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pentan-2-amine
CID 81297245
N-ethyl-N-methyl-2-[(2,3,4-trihydroxyphenyl)methylamino]propanamide
CID 107731050
1-ethylsulfanyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 115907759
1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-pentan-3-ylurea
CID 78880942
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119706350
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methoxypropan-1-amine
CID 102696977
N-ethyl-2-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylpropanamide
CID 103108687
(2R)-2-[[2-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 51690870
1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-one
CID 117115013
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4,4-dimethylpent-2-enamide
CID 72689731

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide?
The IUPAC name of N-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide (CID 103107033) is N-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide.
What is the SMILES notation for N-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide?
The canonical SMILES for N-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide is CCN(C)C(=O)C(C)NCc1ccc(F)cc1C(F)(F)F.
What is the InChIKey of N-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide?
The InChIKey is BRXOAQRGFNGMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2O/c1-4-20(3)13(21)9(2)19-8-10-5-6-11(15)7-12(10)14(16,17)18/h5-7,9,19H,4,8H2,1-3H3.
What are the key properties of N-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide?
N-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide has a molecular weight of 306.30 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide is sourced from PubChem (CID 103107033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).