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

C14H9BrClF2NO — CID 21352687

IUPAC5-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccc(F)cc1F)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H9BrClF2NO/c15-9-2-4-12(16)11(5-9)14(20)19-7-8-1-3-10(17)6-13(8)18/h1-6H,7H2,(H,19,20)
InChIKeyNGIUTRLCSIMSGQ-UHFFFAOYSA-N
MW360.59 g/mol
LogP4.31
Rot. Bonds3

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

5-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]benzamide (PubChem CID 21352687) has the molecular formula C14H9BrClF2NO and a molecular weight of 360.59 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]benzamide
PubChem CID21352687
Molecular FormulaC14H9BrClF2NO
Molecular Weight360.59 g/mol
Exact Mass358.95
IUPAC Name5-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccc(F)cc1F)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H9BrClF2NO/c15-9-2-4-12(16)11(5-9)14(20)19-7-8-1-3-10(17)6-13(8)18/h1-6H,7H2,(H,19,20)
InChIKeyNGIUTRLCSIMSGQ-UHFFFAOYSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.59
LogP ≤ 54.31
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-[(2,4-difluorophenyl)methyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]benzamide (CID 21352687) is 5-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]benzamide is O=C(NCc1ccc(F)cc1F)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]benzamide?
The InChIKey is NGIUTRLCSIMSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClF2NO/c15-9-2-4-12(16)11(5-9)14(20)19-7-8-1-3-10(17)6-13(8)18/h1-6H,7H2,(H,19,20).
What are the key properties of 5-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]benzamide?
5-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]benzamide has a molecular weight of 360.59 g/mol, XLogP of 4.31, 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-[(2,4-difluorophenyl)methyl]benzamide is sourced from PubChem (CID 21352687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).