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

C15H9BrClFN2O — CID 63359737

IUPAC4-bromo-2-chloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide
SMILESN#Cc1ccc(CNC(=O)c2ccc(Br)cc2Cl)c(F)c1
InChIInChI=1S/C15H9BrClFN2O/c16-11-3-4-12(13(17)6-11)15(21)20-8-10-2-1-9(7-19)5-14(10)18/h1-6H,8H2,(H,20,21)
InChIKeyRNHWZOOCVWEKHY-UHFFFAOYSA-N
MW367.61 g/mol
LogP4.04
Rot. Bonds3

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

4-bromo-2-chloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide (PubChem CID 63359737) has the molecular formula C15H9BrClFN2O and a molecular weight of 367.61 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide
PubChem CID63359737
Molecular FormulaC15H9BrClFN2O
Molecular Weight367.61 g/mol
Exact Mass365.96
IUPAC Name4-bromo-2-chloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide
SMILESN#Cc1ccc(CNC(=O)c2ccc(Br)cc2Cl)c(F)c1
InChIInChI=1S/C15H9BrClFN2O/c16-11-3-4-12(13(17)6-11)15(21)20-8-10-2-1-9(7-19)5-14(10)18/h1-6H,8H2,(H,20,21)
InChIKeyRNHWZOOCVWEKHY-UHFFFAOYSA-N
XLogP4.04
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.61
LogP ≤ 54.04
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
3-bromo-N-[(4-cyano-2-fluorophenyl)methyl]benzamide
CID 63359606
2,6-dichloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide
CID 63359520
2-bromo-N-[(4-cyano-2-fluorophenyl)methyl]-5-methylbenzamide
CID 80999969
5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]thiophene-2-carboxamide
CID 55190908
4-bromo-N-[(4-bromophenyl)methyl]-2-chlorobenzamide
CID 61401019
N-[(4-cyano-2-fluorophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78944983
4-bromo-N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzamide
CID 62045941
N-[(4-cyano-2-fluorophenyl)methyl]-4-ethylbenzamide
CID 63359701
N-[(4-cyano-2-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 63359657
2,5-dibromo-N-[(2,4-difluorophenyl)methyl]benzamide
CID 114372185
N-[(4-cyano-2-fluorophenyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 79209191

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide?
The IUPAC name of 4-bromo-2-chloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide (CID 63359737) is 4-bromo-2-chloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 4-bromo-2-chloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide?
The canonical SMILES for 4-bromo-2-chloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide is N#Cc1ccc(CNC(=O)c2ccc(Br)cc2Cl)c(F)c1.
What is the InChIKey of 4-bromo-2-chloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide?
The InChIKey is RNHWZOOCVWEKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClFN2O/c16-11-3-4-12(13(17)6-11)15(21)20-8-10-2-1-9(7-19)5-14(10)18/h1-6H,8H2,(H,20,21).
What are the key properties of 4-bromo-2-chloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide?
4-bromo-2-chloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide has a molecular weight of 367.61 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 63359737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).