N-(1-cyano-1-cyclopropylethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide

C15H15F4N3O — CID 51095929

IUPACN-(1-cyano-1-cyclopropylethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide
SMILESCC(C#N)(NC(=O)CNc1ccc(F)c(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C15H15F4N3O/c1-14(8-20,9-2-3-9)22-13(23)7-21-10-4-5-12(16)11(6-10)15(17,18)19/h4-6,9,21H,2-3,7H2,1H3,(H,22,23)
InChIKeyFUIMFMYCLAHNAU-UHFFFAOYSA-N
MW329.30 g/mol
LogP3.06
Rot. Bonds5

About N-(1-cyano-1-cyclopropylethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide

N-(1-cyano-1-cyclopropylethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide (PubChem CID 51095929) has the molecular formula C15H15F4N3O and a molecular weight of 329.30 g/mol. Its IUPAC name is N-(1-cyano-1-cyclopropylethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(1-cyano-1-cyclopropylethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide
PubChem CID51095929
Molecular FormulaC15H15F4N3O
Molecular Weight329.30 g/mol
Exact Mass329.12
IUPAC NameN-(1-cyano-1-cyclopropylethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide
SMILESCC(C#N)(NC(=O)CNc1ccc(F)c(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C15H15F4N3O/c1-14(8-20,9-2-3-9)22-13(23)7-21-10-4-5-12(16)11(6-10)15(17,18)19/h4-6,9,21H,2-3,7H2,1H3,(H,22,23)
InChIKeyFUIMFMYCLAHNAU-UHFFFAOYSA-N
XLogP3.06
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,3,4-trifluoroanilino)acetamide
CID 51862267
N-(1-cyano-1-cyclopropylethyl)-2-(3,5-dichloroanilino)acetamide
CID 47109692
2-(4-bromo-3-methylanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 47107181
N-[4-[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 60537249
2-(3-acetamido-4-methylanilino)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 94630869
N-(1-cyano-1-cyclopropylethyl)-2-(2,5-dichloroanilino)acetamide
CID 43015950
2-[4-fluoro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide
CID 61229010
N-(cyclopropylmethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide
CID 61230162
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-methyl-3-(tetrazol-1-yl)anilino]acetamide
CID 33011990
2-(2-acetyl-5-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 86788068
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,4-dimethylanilino)acetamide
CID 37473194
2-(3-chloro-2-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 47123731

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide (CID 51095929) is N-(1-cyano-1-cyclopropylethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-(1-cyano-1-cyclopropylethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-(1-cyano-1-cyclopropylethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide is CC(C#N)(NC(=O)CNc1ccc(F)c(C(F)(F)F)c1)C1CC1.
What is the InChIKey of N-(1-cyano-1-cyclopropylethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide?
The InChIKey is FUIMFMYCLAHNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4N3O/c1-14(8-20,9-2-3-9)22-13(23)7-21-10-4-5-12(16)11(6-10)15(17,18)19/h4-6,9,21H,2-3,7H2,1H3,(H,22,23).
What are the key properties of N-(1-cyano-1-cyclopropylethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide?
N-(1-cyano-1-cyclopropylethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide has a molecular weight of 329.30 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-1-cyclopropylethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 51095929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).