N-[2-[(2-cyanoacetyl)amino]phenyl]-3-fluorobenzamide

C16H12FN3O2 — CID 108922965

IUPACN-[2-[(2-cyanoacetyl)amino]phenyl]-3-fluorobenzamide
SMILESN#CCC(=O)Nc1ccccc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C16H12FN3O2/c17-12-5-3-4-11(10-12)16(22)20-14-7-2-1-6-13(14)19-15(21)8-9-18/h1-7,10H,8H2,(H,19,21)(H,20,22)
InChIKeyBNDGZNOIMDZHKK-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.93
Rot. Bonds4

About N-[2-[(2-cyanoacetyl)amino]phenyl]-3-fluorobenzamide

N-[2-[(2-cyanoacetyl)amino]phenyl]-3-fluorobenzamide (PubChem CID 108922965) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is N-[2-[(2-cyanoacetyl)amino]phenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[(2-cyanoacetyl)amino]phenyl]-3-fluorobenzamide
PubChem CID108922965
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC NameN-[2-[(2-cyanoacetyl)amino]phenyl]-3-fluorobenzamide
SMILESN#CCC(=O)Nc1ccccc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C16H12FN3O2/c17-12-5-3-4-11(10-12)16(22)20-14-7-2-1-6-13(14)19-15(21)8-9-18/h1-7,10H,8H2,(H,19,21)(H,20,22)
InChIKeyBNDGZNOIMDZHKK-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

3-chloro-N-[2-[(2-cyanoacetyl)amino]phenyl]benzamide
CID 108922875
N-[2-(3-aminopropanoylamino)phenyl]-3-fluorobenzamide
CID 82034350
N-(2-acetamidophenyl)-3-fluorobenzamide
CID 877390
N-[2-(cyanomethoxy)phenyl]-3-fluorobenzamide
CID 43369387
3-fluoro-N-(2-hydroxyphenyl)benzamide
CID 45029698
N-[2-[(2-cyanoacetyl)amino]phenyl]-2-fluorobenzamide
CID 108922857
3-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]benzamide
CID 1207911
N-[2-[(2-cyanoacetyl)amino]-4-methylphenyl]benzamide
CID 168521332
3-fluoro-N-[2-[[2-[(3-fluorobenzoyl)amino]phenyl]disulfanyl]phenyl]benzamide
CID 126273948
2-[(2-cyanoacetyl)amino]-N-(4-fluorophenyl)benzamide
CID 168522524
N-[2-[(2-cyanoacetyl)amino]phenyl]-2-methylbenzamide
CID 108922967
3-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]benzamide
CID 78805836

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-cyanoacetyl)amino]phenyl]-3-fluorobenzamide?
The IUPAC name of N-[2-[(2-cyanoacetyl)amino]phenyl]-3-fluorobenzamide (CID 108922965) is N-[2-[(2-cyanoacetyl)amino]phenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-[(2-cyanoacetyl)amino]phenyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-[(2-cyanoacetyl)amino]phenyl]-3-fluorobenzamide is N#CCC(=O)Nc1ccccc1NC(=O)c1cccc(F)c1.
What is the InChIKey of N-[2-[(2-cyanoacetyl)amino]phenyl]-3-fluorobenzamide?
The InChIKey is BNDGZNOIMDZHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c17-12-5-3-4-11(10-12)16(22)20-14-7-2-1-6-13(14)19-15(21)8-9-18/h1-7,10H,8H2,(H,19,21)(H,20,22).
What are the key properties of N-[2-[(2-cyanoacetyl)amino]phenyl]-3-fluorobenzamide?
N-[2-[(2-cyanoacetyl)amino]phenyl]-3-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-[2-[(2-cyanoacetyl)amino]phenyl]-3-fluorobenzamide is sourced from PubChem (CID 108922965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).