3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride

C12H15Cl2F3N2O — CID 119675447

IUPAC3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(C)(CN)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C12H14ClF3N2O.ClH/c1-11(2,6-17)10(19)18-7-3-4-9(13)8(5-7)12(14,15)16;/h3-5H,6,17H2,1-2H3,(H,18,19);1H
InChIKeyDYNQVZIPNBSLEM-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.70
Rot. Bonds3

About 3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride

3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride (PubChem CID 119675447) has the molecular formula C12H15Cl2F3N2O and a molecular weight of 331.17 g/mol. Its IUPAC name is 3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride
PubChem CID119675447
Molecular FormulaC12H15Cl2F3N2O
Molecular Weight331.17 g/mol
Exact Mass330.05
IUPAC Name3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(C)(CN)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C12H14ClF3N2O.ClH/c1-11(2,6-17)10(19)18-7-3-4-9(13)8(5-7)12(14,15)16;/h3-5H,6,17H2,1-2H3,(H,18,19);1H
InChIKeyDYNQVZIPNBSLEM-UHFFFAOYSA-N
XLogP3.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-2-(methylamino)propanamide
CID 62834505
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 803107
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethyl-N'-propylpropanediamide
CID 108957147
(2S)-2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119263846
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-sulfanylidenepropanamide
CID 43132915
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2,2-dimethylbutanamide
CID 65485514
N'-acetyl-N'-(2-aminoethyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108515874
N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 33165211
3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride
CID 119676740
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 78811709
3-amino-N-(3,5-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide
CID 107574504

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride (CID 119675447) is 3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride is CC(C)(CN)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.Cl.
What is the InChIKey of 3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride?
The InChIKey is DYNQVZIPNBSLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O.ClH/c1-11(2,6-17)10(19)18-7-3-4-9(13)8(5-7)12(14,15)16;/h3-5H,6,17H2,1-2H3,(H,18,19);1H.
What are the key properties of 3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride?
3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride has a molecular weight of 331.17 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 119675447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).