2-(2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide

C16H14FN3O — CID 108997912

IUPAC2-(2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide
SMILESN#Cc1ccccc1NCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H14FN3O/c17-14-7-5-12(6-8-14)10-20-16(21)11-19-15-4-2-1-3-13(15)9-18/h1-8,19H,10-11H2,(H,20,21)
InChIKeyYTABYQRXDNXWJQ-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.43
Rot. Bonds5

About 2-(2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide

2-(2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 108997912) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-(2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID108997912
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name2-(2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide
SMILESN#Cc1ccccc1NCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H14FN3O/c17-14-7-5-12(6-8-14)10-20-16(21)11-19-15-4-2-1-3-13(15)9-18/h1-8,19H,10-11H2,(H,20,21)
InChIKeyYTABYQRXDNXWJQ-UHFFFAOYSA-N
XLogP2.43
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-fluorophenyl)-2-oxoethyl]amino]benzonitrile
CID 82120041
N-(2-cyanophenyl)-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962648
N-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethoxy)anilino]acetamide
CID 30644517
2-(2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 109000386
N-[(4-fluorophenyl)methyl]-2-[[(2R)-2-hydroxy-2,3-dihydro-1H-inden-4-yl]amino]acetamide
CID 95973247
2-cyano-N-[(4-fluorophenyl)methyl]acetamide
CID 4183587
N-(2-cyanophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109011065
N-[(4-fluorophenyl)methyl]-2-(2-piperidin-1-ylanilino)acetamide
CID 26438085
2-(N-acetyl-2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113180657
N-[(4-fluorophenyl)methyl]-2-(2-morpholin-4-ylanilino)acetamide
CID 108997897
2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 60510944
N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997698

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide (CID 108997912) is 2-(2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide is N#Cc1ccccc1NCC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-(2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is YTABYQRXDNXWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-14-7-5-12(6-8-14)10-20-16(21)11-19-15-4-2-1-3-13(15)9-18/h1-8,19H,10-11H2,(H,20,21).
What are the key properties of 2-(2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide?
2-(2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 283.31 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 108997912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).