2-[[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide

C17H21FN4O2 — CID 8004820

IUPAC2-[[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)CC(=O)N[C@@](C)(C#N)C1CC1
InChIInChI=1S/C17H21FN4O2/c1-17(11-19,12-3-4-12)21-16(24)10-22(2)9-15(23)20-14-7-5-13(18)6-8-14/h5-8,12H,3-4,9-10H2,1-2H3,(H,20,23)(H,21,24)/t17-/m0/s1
InChIKeyNUQMENAANUUAGI-KRWDZBQOSA-N
MW332.38 g/mol
LogP1.50
Rot. Bonds7

About 2-[[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide

2-[[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide (PubChem CID 8004820) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-[[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
PubChem CID8004820
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name2-[[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)CC(=O)N[C@@](C)(C#N)C1CC1
InChIInChI=1S/C17H21FN4O2/c1-17(11-19,12-3-4-12)21-16(24)10-22(2)9-15(23)20-14-7-5-13(18)6-8-14/h5-8,12H,3-4,9-10H2,1-2H3,(H,20,23)(H,21,24)/t17-/m0/s1
InChIKeyNUQMENAANUUAGI-KRWDZBQOSA-N
XLogP1.50
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[N-(2,2-dimethylpropyl)-4-fluoroanilino]acetamide
CID 97070755
2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2608827
2-[cyclopropyl(methyl)amino]-N-(4-fluorophenyl)acetamide
CID 47166447
N-[4-[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 60537249
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(4-fluorophenyl)piperidin-1-yl]acetamide
CID 97061567
N-(1-cyano-1-cyclopropylethyl)-2-[N-(2-hydroxybutyl)anilino]acetamide
CID 110924096
2-[[2-(3-cyanoanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253306
N-(1-cyano-1-cyclopropylethyl)-2-[N-(3-hydroxypropyl)anilino]acetamide
CID 111859993
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(N-methyl-2-phenylanilino)acetamide
CID 95044031
2-(2-acetyl-5-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 86788068
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(N-methyl-2-phenylanilino)acetamide
CID 96998431
2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253301

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide (CID 8004820) is 2-[[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide is CN(CC(=O)Nc1ccc(F)cc1)CC(=O)N[C@@](C)(C#N)C1CC1.
What is the InChIKey of 2-[[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide?
The InChIKey is NUQMENAANUUAGI-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-17(11-19,12-3-4-12)21-16(24)10-22(2)9-15(23)20-14-7-5-13(18)6-8-14/h5-8,12H,3-4,9-10H2,1-2H3,(H,20,23)(H,21,24)/t17-/m0/s1.
What are the key properties of 2-[[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide?
2-[[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide has a molecular weight of 332.38 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 8004820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).