2-chloro-6-fluoro-N-[(4-fluorophenyl)methyl]benzamide

C14H10ClF2NO — CID 2493461

IUPAC2-chloro-6-fluoro-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccc(F)cc1)c1c(F)cccc1Cl
InChIInChI=1S/C14H10ClF2NO/c15-11-2-1-3-12(17)13(11)14(19)18-8-9-4-6-10(16)7-5-9/h1-7H,8H2,(H,18,19)
InChIKeyVVUQGPJVMLAORG-UHFFFAOYSA-N
MW281.69 g/mol
LogP3.55
Rot. Bonds3

About 2-chloro-6-fluoro-N-[(4-fluorophenyl)methyl]benzamide

2-chloro-6-fluoro-N-[(4-fluorophenyl)methyl]benzamide (PubChem CID 2493461) has the molecular formula C14H10ClF2NO and a molecular weight of 281.69 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[(4-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[(4-fluorophenyl)methyl]benzamide
PubChem CID2493461
Molecular FormulaC14H10ClF2NO
Molecular Weight281.69 g/mol
Exact Mass281.04
IUPAC Name2-chloro-6-fluoro-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccc(F)cc1)c1c(F)cccc1Cl
InChIInChI=1S/C14H10ClF2NO/c15-11-2-1-3-12(17)13(11)14(19)18-8-9-4-6-10(16)7-5-9/h1-7H,8H2,(H,18,19)
InChIKeyVVUQGPJVMLAORG-UHFFFAOYSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.69
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[(4-fluorophenyl)methyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[(4-fluorophenyl)methyl]benzamide (CID 2493461) is 2-chloro-6-fluoro-N-[(4-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[(4-fluorophenyl)methyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[(4-fluorophenyl)methyl]benzamide is O=C(NCc1ccc(F)cc1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[(4-fluorophenyl)methyl]benzamide?
The InChIKey is VVUQGPJVMLAORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2NO/c15-11-2-1-3-12(17)13(11)14(19)18-8-9-4-6-10(16)7-5-9/h1-7H,8H2,(H,18,19).
What are the key properties of 2-chloro-6-fluoro-N-[(4-fluorophenyl)methyl]benzamide?
2-chloro-6-fluoro-N-[(4-fluorophenyl)methyl]benzamide has a molecular weight of 281.69 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[(4-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 2493461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).