2-chloro-4,5-difluoro-N-(2-phenylethyl)benzamide

C15H12ClF2NO — CID 569050

IUPAC2-chloro-4,5-difluoro-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C15H12ClF2NO/c16-12-9-14(18)13(17)8-11(12)15(20)19-7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,19,20)
InChIKeyPUIJETUVCPDBIH-UHFFFAOYSA-N
MW295.72 g/mol
LogP3.59
Rot. Bonds4

About 2-chloro-4,5-difluoro-N-(2-phenylethyl)benzamide

2-chloro-4,5-difluoro-N-(2-phenylethyl)benzamide (PubChem CID 569050) has the molecular formula C15H12ClF2NO and a molecular weight of 295.72 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-(2-phenylethyl)benzamide
PubChem CID569050
Molecular FormulaC15H12ClF2NO
Molecular Weight295.72 g/mol
Exact Mass295.06
IUPAC Name2-chloro-4,5-difluoro-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C15H12ClF2NO/c16-12-9-14(18)13(17)8-11(12)15(20)19-7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,19,20)
InChIKeyPUIJETUVCPDBIH-UHFFFAOYSA-N
XLogP3.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-(2-phenylethyl)benzamide (CID 569050) is 2-chloro-4,5-difluoro-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-(2-phenylethyl)benzamide is O=C(NCCc1ccccc1)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4,5-difluoro-N-(2-phenylethyl)benzamide?
The InChIKey is PUIJETUVCPDBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NO/c16-12-9-14(18)13(17)8-11(12)15(20)19-7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,19,20).
What are the key properties of 2-chloro-4,5-difluoro-N-(2-phenylethyl)benzamide?
2-chloro-4,5-difluoro-N-(2-phenylethyl)benzamide has a molecular weight of 295.72 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 569050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).