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

C15H14ClNO — CID 835434

IUPAC3-chloro-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C15H14ClNO/c16-14-8-4-7-13(11-14)15(18)17-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,17,18)
InChIKeyIPSCTSNLGKJFAO-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.31
Rot. Bonds4

About 3-chloro-N-(2-phenylethyl)benzamide

3-chloro-N-(2-phenylethyl)benzamide (PubChem CID 835434) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is 3-chloro-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(2-phenylethyl)benzamide
PubChem CID835434
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name3-chloro-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C15H14ClNO/c16-14-8-4-7-13(11-14)15(18)17-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,17,18)
InChIKeyIPSCTSNLGKJFAO-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 3-chloro-N-(2-phenylethyl)benzamide?
The IUPAC name of 3-chloro-N-(2-phenylethyl)benzamide (CID 835434) is 3-chloro-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 3-chloro-N-(2-phenylethyl)benzamide?
The canonical SMILES for 3-chloro-N-(2-phenylethyl)benzamide is O=C(NCCc1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-phenylethyl)benzamide?
The InChIKey is IPSCTSNLGKJFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c16-14-8-4-7-13(11-14)15(18)17-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,17,18).
What are the key properties of 3-chloro-N-(2-phenylethyl)benzamide?
3-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 3-chloro-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 835434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).