2-[4-fluoro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide

C12H14F4N2O — CID 61229010

IUPAC2-[4-fluoro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H14F4N2O/c1-7(2)18-11(19)6-17-8-3-4-10(13)9(5-8)12(14,15)16/h3-5,7,17H,6H2,1-2H3,(H,18,19)
InChIKeyNBOQYDDVZAPYBB-UHFFFAOYSA-N
MW278.25 g/mol
LogP2.78
Rot. Bonds4

About 2-[4-fluoro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide

2-[4-fluoro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide (PubChem CID 61229010) has the molecular formula C12H14F4N2O and a molecular weight of 278.25 g/mol. Its IUPAC name is 2-[4-fluoro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-fluoro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide
PubChem CID61229010
Molecular FormulaC12H14F4N2O
Molecular Weight278.25 g/mol
Exact Mass278.10
IUPAC Name2-[4-fluoro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H14F4N2O/c1-7(2)18-11(19)6-17-8-3-4-10(13)9(5-8)12(14,15)16/h3-5,7,17H,6H2,1-2H3,(H,18,19)
InChIKeyNBOQYDDVZAPYBB-UHFFFAOYSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide
CID 61230162
N-butan-2-yl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 60721340
N-(1-cyano-1-cyclopropylethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide
CID 51095929
2-(3-fluoro-4-methoxyanilino)-N-propan-2-ylacetamide
CID 43380838
3-[4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide
CID 62623936
4-[4-fluoro-3-(trifluoromethyl)anilino]-N-methylbutanamide
CID 63891626
3-[4-fluoro-3-(trifluoromethyl)anilino]propanoic acid
CID 61228436
4-fluoro-N-(2-methylbutyl)-3-(trifluoromethyl)aniline
CID 63453849
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 52774182
2-(naphthalen-2-ylamino)-N-propan-2-ylacetamide
CID 43398270
3-[4-fluoro-3-(trifluoromethyl)anilino]-2-methylpropanenitrile
CID 61228431
3-[4-fluoro-3-(trifluoromethyl)anilino]-2-methylbutanoic acid
CID 79390899

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide (CID 61229010) is 2-[4-fluoro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-fluoro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-fluoro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-fluoro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide?
The InChIKey is NBOQYDDVZAPYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O/c1-7(2)18-11(19)6-17-8-3-4-10(13)9(5-8)12(14,15)16/h3-5,7,17H,6H2,1-2H3,(H,18,19).
What are the key properties of 2-[4-fluoro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide?
2-[4-fluoro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide has a molecular weight of 278.25 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide is sourced from PubChem (CID 61229010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).