3-bromo-N-[(4-cyano-2-fluorophenyl)methyl]benzamide

C15H10BrFN2O — CID 63359606

IUPAC3-bromo-N-[(4-cyano-2-fluorophenyl)methyl]benzamide
SMILESN#Cc1ccc(CNC(=O)c2cccc(Br)c2)c(F)c1
InChIInChI=1S/C15H10BrFN2O/c16-13-3-1-2-11(7-13)15(20)19-9-12-5-4-10(8-18)6-14(12)17/h1-7H,9H2,(H,19,20)
InChIKeyPDJDMQWHPOLJBF-UHFFFAOYSA-N
MW333.16 g/mol
LogP3.39
Rot. Bonds3

About 3-bromo-N-[(4-cyano-2-fluorophenyl)methyl]benzamide

3-bromo-N-[(4-cyano-2-fluorophenyl)methyl]benzamide (PubChem CID 63359606) has the molecular formula C15H10BrFN2O and a molecular weight of 333.16 g/mol. Its IUPAC name is 3-bromo-N-[(4-cyano-2-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(4-cyano-2-fluorophenyl)methyl]benzamide
PubChem CID63359606
Molecular FormulaC15H10BrFN2O
Molecular Weight333.16 g/mol
Exact Mass332.00
IUPAC Name3-bromo-N-[(4-cyano-2-fluorophenyl)methyl]benzamide
SMILESN#Cc1ccc(CNC(=O)c2cccc(Br)c2)c(F)c1
InChIInChI=1S/C15H10BrFN2O/c16-13-3-1-2-11(7-13)15(20)19-9-12-5-4-10(8-18)6-14(12)17/h1-7H,9H2,(H,19,20)
InChIKeyPDJDMQWHPOLJBF-UHFFFAOYSA-N
XLogP3.39
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]-2-fluorobenzamide
CID 63359561
N-[(4-cyano-2-fluorophenyl)methyl]-4-ethylbenzamide
CID 63359701
4-bromo-2-chloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide
CID 63359737
2,6-dichloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide
CID 63359520
5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]thiophene-2-carboxamide
CID 55190908
N-[(4-cyano-2-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 63359657
N-[(4-cyano-2-fluorophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78944983
2-bromo-N-[(4-cyano-2-fluorophenyl)methyl]-5-methylbenzamide
CID 80999969
N-[(4-cyano-2-fluorophenyl)methyl]-4-(2-methylpropyl)benzamide
CID 86893384
3-bromo-N-[(4-cyano-2-fluorophenyl)methyl]benzenesulfonamide
CID 63359526
4-cyano-N-[(2-fluorophenyl)methyl]benzamide
CID 4798282
3-[(4-bromo-2-fluorophenyl)methylamino]-N-ethylbenzamide
CID 43231490

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(4-cyano-2-fluorophenyl)methyl]benzamide?
The IUPAC name of 3-bromo-N-[(4-cyano-2-fluorophenyl)methyl]benzamide (CID 63359606) is 3-bromo-N-[(4-cyano-2-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 3-bromo-N-[(4-cyano-2-fluorophenyl)methyl]benzamide?
The canonical SMILES for 3-bromo-N-[(4-cyano-2-fluorophenyl)methyl]benzamide is N#Cc1ccc(CNC(=O)c2cccc(Br)c2)c(F)c1.
What is the InChIKey of 3-bromo-N-[(4-cyano-2-fluorophenyl)methyl]benzamide?
The InChIKey is PDJDMQWHPOLJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O/c16-13-3-1-2-11(7-13)15(20)19-9-12-5-4-10(8-18)6-14(12)17/h1-7H,9H2,(H,19,20).
What are the key properties of 3-bromo-N-[(4-cyano-2-fluorophenyl)methyl]benzamide?
3-bromo-N-[(4-cyano-2-fluorophenyl)methyl]benzamide has a molecular weight of 333.16 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(4-cyano-2-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 63359606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).