2-[1-cyanopropan-2-yl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide

C14H16F3N3O — CID 78889854

IUPAC2-[1-cyanopropan-2-yl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCC(CC#N)N(C)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H16F3N3O/c1-10(7-8-18)20(2)9-13(21)19-12-6-4-3-5-11(12)14(15,16)17/h3-6,10H,7,9H2,1-2H3,(H,19,21)
InChIKeyMBMFFSUXTYPAHT-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.88
Rot. Bonds5

About 2-[1-cyanopropan-2-yl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[1-cyanopropan-2-yl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 78889854) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 2-[1-cyanopropan-2-yl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[1-cyanopropan-2-yl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID78889854
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name2-[1-cyanopropan-2-yl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCC(CC#N)N(C)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H16F3N3O/c1-10(7-8-18)20(2)9-13(21)19-12-6-4-3-5-11(12)14(15,16)17/h3-6,10H,7,9H2,1-2H3,(H,19,21)
InChIKeyMBMFFSUXTYPAHT-UHFFFAOYSA-N
XLogP2.88
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanoic acid
CID 119913712
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
N-(3-cyanophenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
CID 17425595
2-[methyl-[2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-2-oxoethyl]amino]propanoic acid
CID 119913186
N-(2-cyanoethyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 34691947
N-(2-methoxyphenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
CID 17437130
2-[[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9286389
2-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-propan-2-ylamino]acetamide
CID 40760123
3-[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 97324001
2-[benzyl(methyl)amino]-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 42919555
(2S)-N-(3-acetylphenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
CID 9286593
2-[(2-chloroacetyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2095781

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyanopropan-2-yl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[1-cyanopropan-2-yl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 78889854) is 2-[1-cyanopropan-2-yl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[1-cyanopropan-2-yl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[1-cyanopropan-2-yl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide is CC(CC#N)N(C)CC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[1-cyanopropan-2-yl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is MBMFFSUXTYPAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-10(7-8-18)20(2)9-13(21)19-12-6-4-3-5-11(12)14(15,16)17/h3-6,10H,7,9H2,1-2H3,(H,19,21).
What are the key properties of 2-[1-cyanopropan-2-yl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[1-cyanopropan-2-yl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 299.30 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyanopropan-2-yl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 78889854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).