4-[[2-methyl-3-(methylamino)propyl]amino]-2-(trifluoromethyl)benzamide

C13H18F3N3O — CID 115302961

IUPAC4-[[2-methyl-3-(methylamino)propyl]amino]-2-(trifluoromethyl)benzamide
SMILESCNCC(C)CNc1ccc(C(N)=O)c(C(F)(F)F)c1
InChIInChI=1S/C13H18F3N3O/c1-8(6-18-2)7-19-9-3-4-10(12(17)20)11(5-9)13(14,15)16/h3-5,8,18-19H,6-7H2,1-2H3,(H2,17,20)
InChIKeyKTXNXFXRHJHIIV-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.07
Rot. Bonds6

About 4-[[2-methyl-3-(methylamino)propyl]amino]-2-(trifluoromethyl)benzamide

4-[[2-methyl-3-(methylamino)propyl]amino]-2-(trifluoromethyl)benzamide (PubChem CID 115302961) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 4-[[2-methyl-3-(methylamino)propyl]amino]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-[[2-methyl-3-(methylamino)propyl]amino]-2-(trifluoromethyl)benzamide
PubChem CID115302961
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name4-[[2-methyl-3-(methylamino)propyl]amino]-2-(trifluoromethyl)benzamide
SMILESCNCC(C)CNc1ccc(C(N)=O)c(C(F)(F)F)c1
InChIInChI=1S/C13H18F3N3O/c1-8(6-18-2)7-19-9-3-4-10(12(17)20)11(5-9)13(14,15)16/h3-5,8,18-19H,6-7H2,1-2H3,(H2,17,20)
InChIKeyKTXNXFXRHJHIIV-UHFFFAOYSA-N
XLogP2.07
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-carbamoyl-3-(trifluoromethyl)anilino]acetic acid
CID 43320600
4-[(1-aminocyclobutyl)methylamino]-2-(trifluoromethyl)benzamide
CID 103354013
6-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-3-carboxamide
CID 115303139
4-(1-aminohexan-2-ylamino)-2-(trifluoromethyl)benzamide
CID 80698083
4-(4-carbamoyl-3-methylanilino)-3-methylbutanoic acid
CID 81273308
4-fluoro-N-(2-methylbutyl)-3-(trifluoromethyl)aniline
CID 63453849
2-chloro-4-(2-methylpropylamino)benzamide
CID 43736438
2-fluoro-5-(2,3,3-trimethylbutylamino)benzamide
CID 114270471
4-(azetidin-3-ylamino)-2-(trifluoromethyl)benzamide
CID 66187502
4-(2,2,2-trifluoroethylamino)-2-(trifluoromethyl)benzoic acid
CID 62709766
N-[4-carbamothioyl-3-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 65483189
4-(2-methoxyethylamino)-2-(trifluoromethyl)benzenecarbothioamide
CID 43320770

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methyl-3-(methylamino)propyl]amino]-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-[[2-methyl-3-(methylamino)propyl]amino]-2-(trifluoromethyl)benzamide (CID 115302961) is 4-[[2-methyl-3-(methylamino)propyl]amino]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-[[2-methyl-3-(methylamino)propyl]amino]-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-[[2-methyl-3-(methylamino)propyl]amino]-2-(trifluoromethyl)benzamide is CNCC(C)CNc1ccc(C(N)=O)c(C(F)(F)F)c1.
What is the InChIKey of 4-[[2-methyl-3-(methylamino)propyl]amino]-2-(trifluoromethyl)benzamide?
The InChIKey is KTXNXFXRHJHIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-8(6-18-2)7-19-9-3-4-10(12(17)20)11(5-9)13(14,15)16/h3-5,8,18-19H,6-7H2,1-2H3,(H2,17,20).
What are the key properties of 4-[[2-methyl-3-(methylamino)propyl]amino]-2-(trifluoromethyl)benzamide?
4-[[2-methyl-3-(methylamino)propyl]amino]-2-(trifluoromethyl)benzamide has a molecular weight of 289.30 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methyl-3-(methylamino)propyl]amino]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 115302961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).