N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

C13H17ClF4N2O — CID 119706350

IUPACN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCc1ccc(F)cc1C(F)(F)F.Cl
InChIInChI=1S/C13H16F4N2O.ClH/c1-8(6-18-2)12(20)19-7-9-3-4-10(14)5-11(9)13(15,16)17;/h3-5,8,18H,6-7H2,1-2H3,(H,19,20);1H
InChIKeyZXCXAQYBWXUDMO-UHFFFAOYSA-N
MW328.74 g/mol
LogP2.74
Rot. Bonds5

About N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119706350) has the molecular formula C13H17ClF4N2O and a molecular weight of 328.74 g/mol. Its IUPAC name is N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119706350
Molecular FormulaC13H17ClF4N2O
Molecular Weight328.74 g/mol
Exact Mass328.10
IUPAC NameN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCc1ccc(F)cc1C(F)(F)F.Cl
InChIInChI=1S/C13H16F4N2O.ClH/c1-8(6-18-2)12(20)19-7-9-3-4-10(14)5-11(9)13(15,16)17;/h3-5,8,18H,6-7H2,1-2H3,(H,19,20);1H
InChIKeyZXCXAQYBWXUDMO-UHFFFAOYSA-N
XLogP2.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.74
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-pentan-3-ylurea
CID 78880942
3-chloro-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide
CID 62726867
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4,4-dimethylpent-2-enamide
CID 72689731
2-methyl-3-(methylamino)-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
CID 119744421
N-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119697509
(Z)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpent-2-enamide
CID 60557602
4-ethoxy-N-[1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55705631
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methoxypropan-1-amine
CID 102696977
3-amino-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide
CID 62229790
(2S)-2-amino-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
CID 119313991
1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-one
CID 117115013
3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N,2,2-trimethylpropanamide
CID 103824330

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119706350) is N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is CNCC(C)C(=O)NCc1ccc(F)cc1C(F)(F)F.Cl.
What is the InChIKey of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is ZXCXAQYBWXUDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2O.ClH/c1-8(6-18-2)12(20)19-7-9-3-4-10(14)5-11(9)13(15,16)17;/h3-5,8,18H,6-7H2,1-2H3,(H,19,20);1H.
What are the key properties of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 328.74 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119706350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).