2-[(2-cyanoacetyl)amino]-N-(4-fluorophenyl)benzamide

C16H12FN3O2 — CID 168522524

IUPAC2-[(2-cyanoacetyl)amino]-N-(4-fluorophenyl)benzamide
SMILESN#CCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H12FN3O2/c17-11-5-7-12(8-6-11)19-16(22)13-3-1-2-4-14(13)20-15(21)9-10-18/h1-8H,9H2,(H,19,22)(H,20,21)
InChIKeyXBJPHQXMBYGPQG-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.93
Rot. Bonds4

About 2-[(2-cyanoacetyl)amino]-N-(4-fluorophenyl)benzamide

2-[(2-cyanoacetyl)amino]-N-(4-fluorophenyl)benzamide (PubChem CID 168522524) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is 2-[(2-cyanoacetyl)amino]-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name2-[(2-cyanoacetyl)amino]-N-(4-fluorophenyl)benzamide
PubChem CID168522524
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC Name2-[(2-cyanoacetyl)amino]-N-(4-fluorophenyl)benzamide
SMILESN#CCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H12FN3O2/c17-11-5-7-12(8-6-11)19-16(22)13-3-1-2-4-14(13)20-15(21)9-10-18/h1-8H,9H2,(H,19,22)(H,20,21)
InChIKeyXBJPHQXMBYGPQG-UHFFFAOYSA-N
XLogP2.93
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2-cyanoacetyl)amino]phenyl]-4-fluorobenzamide
CID 108922462
N-[2-[(2-cyanoacetyl)amino]phenyl]-2-fluorobenzamide
CID 108922857
2-cyano-N-[2-[(phenylcarbamoylamino)carbamoyl]phenyl]acetamide
CID 168523939
2-(2,2-dicyanoethenylamino)-N-(4-fluorophenyl)benzamide
CID 26485421
2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]carbamoyl]benzoic acid
CID 982173
N-[2-[(2-cyanoacetyl)amino]phenyl]-2-methylbenzamide
CID 108922967
2-cyano-N-[2-[[(4-methoxyphenyl)carbamothioylamino]carbamoyl]phenyl]acetamide
CID 168523506
4-[(2-cyanoacetyl)amino]-N-phenylbenzamide
CID 138994514
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
N-[2-[(2-cyanoacetyl)amino]phenyl]-3-fluorobenzamide
CID 108922965
2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 36876914
N-(4-fluorophenyl)-2-[(2-naphthalen-2-yloxyacetyl)amino]benzamide
CID 1300898

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyanoacetyl)amino]-N-(4-fluorophenyl)benzamide?
The IUPAC name of 2-[(2-cyanoacetyl)amino]-N-(4-fluorophenyl)benzamide (CID 168522524) is 2-[(2-cyanoacetyl)amino]-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 2-[(2-cyanoacetyl)amino]-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 2-[(2-cyanoacetyl)amino]-N-(4-fluorophenyl)benzamide is N#CCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[(2-cyanoacetyl)amino]-N-(4-fluorophenyl)benzamide?
The InChIKey is XBJPHQXMBYGPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c17-11-5-7-12(8-6-11)19-16(22)13-3-1-2-4-14(13)20-15(21)9-10-18/h1-8H,9H2,(H,19,22)(H,20,21).
What are the key properties of 2-[(2-cyanoacetyl)amino]-N-(4-fluorophenyl)benzamide?
2-[(2-cyanoacetyl)amino]-N-(4-fluorophenyl)benzamide has a molecular weight of 297.29 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyanoacetyl)amino]-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 168522524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).