2-(2-cyano-N-ethyl-4-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide

C18H17F2N3O — CID 133400790

IUPAC2-(2-cyano-N-ethyl-4-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)c1ccc(F)cc1C#N
InChIInChI=1S/C18H17F2N3O/c1-2-23(17-8-7-16(20)9-14(17)10-21)12-18(24)22-11-13-3-5-15(19)6-4-13/h3-9H,2,11-12H2,1H3,(H,22,24)
InChIKeyPLEJYDPEUOCQHT-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.98
Rot. Bonds6

About 2-(2-cyano-N-ethyl-4-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide

2-(2-cyano-N-ethyl-4-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 133400790) has the molecular formula C18H17F2N3O and a molecular weight of 329.35 g/mol. Its IUPAC name is 2-(2-cyano-N-ethyl-4-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-cyano-N-ethyl-4-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID133400790
Molecular FormulaC18H17F2N3O
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name2-(2-cyano-N-ethyl-4-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)c1ccc(F)cc1C#N
InChIInChI=1S/C18H17F2N3O/c1-2-23(17-8-7-16(20)9-14(17)10-21)12-18(24)22-11-13-3-5-15(19)6-4-13/h3-9H,2,11-12H2,1H3,(H,22,24)
InChIKeyPLEJYDPEUOCQHT-UHFFFAOYSA-N
XLogP2.98
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-ethyl-4-fluoro-2-nitroanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 9113030
2-[4-cyano-N-ethyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide
CID 11668012
2-(N-acetyl-2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113180657
2-(N-ethyl-2-nitro-4-sulfamoylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 16959542
2-(N-acetyl-2,4-difluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113178953
2-cyano-N-[(4-fluorophenyl)methyl]acetamide
CID 4183587
1-(2-cyano-4-fluorophenyl)-3-[[4-(diethylaminomethyl)phenyl]methyl]urea
CID 78839329
2-[2-cyano-4-fluoro-N-(2-methylpropyl)anilino]acetamide
CID 63669381
2-[ethyl-[2-(N-ethylanilino)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 55437782
2-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 31371490
2-(N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]anilino)acetic acid
CID 25219996
3-(dimethylsulfamoyl)-N-ethyl-4-fluoro-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide
CID 55792417

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-N-ethyl-4-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(2-cyano-N-ethyl-4-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide (CID 133400790) is 2-(2-cyano-N-ethyl-4-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-cyano-N-ethyl-4-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(2-cyano-N-ethyl-4-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide is CCN(CC(=O)NCc1ccc(F)cc1)c1ccc(F)cc1C#N.
What is the InChIKey of 2-(2-cyano-N-ethyl-4-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is PLEJYDPEUOCQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O/c1-2-23(17-8-7-16(20)9-14(17)10-21)12-18(24)22-11-13-3-5-15(19)6-4-13/h3-9H,2,11-12H2,1H3,(H,22,24).
What are the key properties of 2-(2-cyano-N-ethyl-4-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide?
2-(2-cyano-N-ethyl-4-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 329.35 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-N-ethyl-4-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 133400790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).