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

C14H10BrClFNO — CID 977979

IUPAC5-bromo-2-chloro-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H10BrClFNO/c15-10-3-6-13(16)12(7-10)14(19)18-8-9-1-4-11(17)5-2-9/h1-7H,8H2,(H,18,19)
InChIKeyVGJNFJHAICDSAV-UHFFFAOYSA-N
MW342.60 g/mol
LogP4.17
Rot. Bonds3

About 5-bromo-2-chloro-N-[(4-fluorophenyl)methyl]benzamide

5-bromo-2-chloro-N-[(4-fluorophenyl)methyl]benzamide (PubChem CID 977979) has the molecular formula C14H10BrClFNO and a molecular weight of 342.60 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(4-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(4-fluorophenyl)methyl]benzamide
PubChem CID977979
Molecular FormulaC14H10BrClFNO
Molecular Weight342.60 g/mol
Exact Mass340.96
IUPAC Name5-bromo-2-chloro-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H10BrClFNO/c15-10-3-6-13(16)12(7-10)14(19)18-8-9-1-4-11(17)5-2-9/h1-7H,8H2,(H,18,19)
InChIKeyVGJNFJHAICDSAV-UHFFFAOYSA-N
XLogP4.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.60
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[(4-fluorophenyl)methyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[(4-fluorophenyl)methyl]benzamide (CID 977979) is 5-bromo-2-chloro-N-[(4-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[(4-fluorophenyl)methyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[(4-fluorophenyl)methyl]benzamide is O=C(NCc1ccc(F)cc1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[(4-fluorophenyl)methyl]benzamide?
The InChIKey is VGJNFJHAICDSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO/c15-10-3-6-13(16)12(7-10)14(19)18-8-9-1-4-11(17)5-2-9/h1-7H,8H2,(H,18,19).
What are the key properties of 5-bromo-2-chloro-N-[(4-fluorophenyl)methyl]benzamide?
5-bromo-2-chloro-N-[(4-fluorophenyl)methyl]benzamide has a molecular weight of 342.60 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[(4-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 977979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).