2-chloro-6-fluoro-N-(2-phenylethyl)benzamide

C15H13ClFNO — CID 872370

IUPAC2-chloro-6-fluoro-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1c(F)cccc1Cl
InChIInChI=1S/C15H13ClFNO/c16-12-7-4-8-13(17)14(12)15(19)18-10-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,18,19)
InChIKeyMIURRLIWDWWICH-UHFFFAOYSA-N
MW277.73 g/mol
LogP3.45
Rot. Bonds4

About 2-chloro-6-fluoro-N-(2-phenylethyl)benzamide

2-chloro-6-fluoro-N-(2-phenylethyl)benzamide (PubChem CID 872370) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(2-phenylethyl)benzamide
PubChem CID872370
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC Name2-chloro-6-fluoro-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1c(F)cccc1Cl
InChIInChI=1S/C15H13ClFNO/c16-12-7-4-8-13(17)14(12)15(19)18-10-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,18,19)
InChIKeyMIURRLIWDWWICH-UHFFFAOYSA-N
XLogP3.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 53.45
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-(2-phenylethyl)benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-(2-phenylethyl)benzamide (CID 872370) is 2-chloro-6-fluoro-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-(2-phenylethyl)benzamide is O=C(NCCc1ccccc1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-(2-phenylethyl)benzamide?
The InChIKey is MIURRLIWDWWICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c16-12-7-4-8-13(17)14(12)15(19)18-10-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,18,19).
What are the key properties of 2-chloro-6-fluoro-N-(2-phenylethyl)benzamide?
2-chloro-6-fluoro-N-(2-phenylethyl)benzamide has a molecular weight of 277.73 g/mol, XLogP of 3.45, 4 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-(2-phenylethyl)benzamide is sourced from PubChem (CID 872370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).