4-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylbutanamide

C12H14ClF3N2O — CID 81070111

IUPAC4-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylbutanamide
SMILESCC(CN)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C12H14ClF3N2O/c1-7(6-17)4-11(19)18-10-3-2-8(13)5-9(10)12(14,15)16/h2-3,5,7H,4,6,17H2,1H3,(H,18,19)
InChIKeyKTIXVBVZYSFWQY-UHFFFAOYSA-N
MW294.70 g/mol
LogP3.28
Rot. Bonds4

About 4-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylbutanamide

4-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylbutanamide (PubChem CID 81070111) has the molecular formula C12H14ClF3N2O and a molecular weight of 294.70 g/mol. Its IUPAC name is 4-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylbutanamide
PubChem CID81070111
Molecular FormulaC12H14ClF3N2O
Molecular Weight294.70 g/mol
Exact Mass294.07
IUPAC Name4-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylbutanamide
SMILESCC(CN)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C12H14ClF3N2O/c1-7(6-17)4-11(19)18-10-3-2-8(13)5-9(10)12(14,15)16/h2-3,5,7H,4,6,17H2,1H3,(H,18,19)
InChIKeyKTIXVBVZYSFWQY-UHFFFAOYSA-N
XLogP3.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 2427329
(2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 22690588
2-(aminomethyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]butanamide
CID 65225936
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylpropylamino)propanamide
CID 109012899
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915256
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79195644
ethyl 4-[4-chloro-2-(trifluoromethyl)anilino]-4-oxobutanoate
CID 60660652
4-amino-N-(3,5-dichlorophenyl)-3-methylbutanamide
CID 81070502
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 3338455
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-methylbutyl)urea
CID 47325404
2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]butanediamide
CID 60848978
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103603473

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylbutanamide?
The IUPAC name of 4-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylbutanamide (CID 81070111) is 4-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylbutanamide?
The canonical SMILES for 4-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylbutanamide is CC(CN)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 4-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylbutanamide?
The InChIKey is KTIXVBVZYSFWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O/c1-7(6-17)4-11(19)18-10-3-2-8(13)5-9(10)12(14,15)16/h2-3,5,7H,4,6,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylbutanamide?
4-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylbutanamide has a molecular weight of 294.70 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylbutanamide is sourced from PubChem (CID 81070111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).