N-[4-[(2-cyanoacetyl)amino]phenyl]-4-fluorobenzamide

C16H12FN3O2 — CID 108922462

IUPACN-[4-[(2-cyanoacetyl)amino]phenyl]-4-fluorobenzamide
SMILESN#CCC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H12FN3O2/c17-12-3-1-11(2-4-12)16(22)20-14-7-5-13(6-8-14)19-15(21)9-10-18/h1-8H,9H2,(H,19,21)(H,20,22)
InChIKeySOKIFTUEFWFFDU-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.93
Rot. Bonds4

About N-[4-[(2-cyanoacetyl)amino]phenyl]-4-fluorobenzamide

N-[4-[(2-cyanoacetyl)amino]phenyl]-4-fluorobenzamide (PubChem CID 108922462) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is N-[4-[(2-cyanoacetyl)amino]phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[(2-cyanoacetyl)amino]phenyl]-4-fluorobenzamide
PubChem CID108922462
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC NameN-[4-[(2-cyanoacetyl)amino]phenyl]-4-fluorobenzamide
SMILESN#CCC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H12FN3O2/c17-12-3-1-11(2-4-12)16(22)20-14-7-5-13(6-8-14)19-15(21)9-10-18/h1-8H,9H2,(H,19,21)(H,20,22)
InChIKeySOKIFTUEFWFFDU-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

4-[(2-cyanoacetyl)amino]-N-phenylbenzamide
CID 138994514
4-tert-butyl-N-[4-[(2-cyanoacetyl)amino]phenyl]benzamide
CID 108922528
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
2-[(2-cyanoacetyl)amino]-N-(4-fluorophenyl)benzamide
CID 168522524
4-[(2-cyanoacetyl)amino]-N-methylbenzamide
CID 168524250
4-[(2-cyanoacetyl)amino]-N-(3,5-dimethylphenyl)benzamide
CID 168521355
4-[(2-cyanoacetyl)amino]benzoic acid
CID 857628
N-(3-chlorophenyl)-4-[(2-cyanoacetyl)amino]benzamide
CID 2475447
N-(3-acetylphenyl)-4-[(2-cyanoacetyl)amino]benzamide
CID 4846463
N-(4-fluorophenyl)-4-formamidobenzamide
CID 168651892
[4-(4-fluorophenyl)-4-oxobutyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 7808333
1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049917

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-cyanoacetyl)amino]phenyl]-4-fluorobenzamide?
The IUPAC name of N-[4-[(2-cyanoacetyl)amino]phenyl]-4-fluorobenzamide (CID 108922462) is N-[4-[(2-cyanoacetyl)amino]phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-[(2-cyanoacetyl)amino]phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[4-[(2-cyanoacetyl)amino]phenyl]-4-fluorobenzamide is N#CCC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-[(2-cyanoacetyl)amino]phenyl]-4-fluorobenzamide?
The InChIKey is SOKIFTUEFWFFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c17-12-3-1-11(2-4-12)16(22)20-14-7-5-13(6-8-14)19-15(21)9-10-18/h1-8H,9H2,(H,19,21)(H,20,22).
What are the key properties of N-[4-[(2-cyanoacetyl)amino]phenyl]-4-fluorobenzamide?
N-[4-[(2-cyanoacetyl)amino]phenyl]-4-fluorobenzamide 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 N-[4-[(2-cyanoacetyl)amino]phenyl]-4-fluorobenzamide is sourced from PubChem (CID 108922462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).