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

C15H14ClNO — CID 692233

IUPAC2-chloro-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C15H14ClNO/c16-14-9-5-4-8-13(14)15(18)17-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18)
InChIKeyPLSUZSSOFMKWLH-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.31
Rot. Bonds4

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

2-chloro-N-(2-phenylethyl)benzamide (PubChem CID 692233) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is 2-chloro-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-phenylethyl)benzamide
PubChem CID692233
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name2-chloro-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C15H14ClNO/c16-14-9-5-4-8-13(14)15(18)17-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18)
InChIKeyPLSUZSSOFMKWLH-UHFFFAOYSA-N
XLogP3.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-chloro-N-(2-phenylethyl)benzamide (CID 692233) is 2-chloro-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-chloro-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-chloro-N-(2-phenylethyl)benzamide is O=C(NCCc1ccccc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2-phenylethyl)benzamide?
The InChIKey is PLSUZSSOFMKWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c16-14-9-5-4-8-13(14)15(18)17-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18).
What are the key properties of 2-chloro-N-(2-phenylethyl)benzamide?
2-chloro-N-(2-phenylethyl)benzamide has a molecular weight of 259.74 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 692233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).