2-chloro-N-(1-phenylethyl)benzamide

C15H14ClNO — CID 2869527

IUPAC2-chloro-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C15H14ClNO/c1-11(12-7-3-2-4-8-12)17-15(18)13-9-5-6-10-14(13)16/h2-11H,1H3,(H,17,18)
InChIKeyPTFMGAMWYMRCPQ-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.83
Rot. Bonds3

About 2-chloro-N-(1-phenylethyl)benzamide

2-chloro-N-(1-phenylethyl)benzamide (PubChem CID 2869527) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is 2-chloro-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(1-phenylethyl)benzamide
PubChem CID2869527
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name2-chloro-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C15H14ClNO/c1-11(12-7-3-2-4-8-12)17-15(18)13-9-5-6-10-14(13)16/h2-11H,1H3,(H,17,18)
InChIKeyPTFMGAMWYMRCPQ-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-phenylethyl)benzamide?
The IUPAC name of 2-chloro-N-(1-phenylethyl)benzamide (CID 2869527) is 2-chloro-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 2-chloro-N-(1-phenylethyl)benzamide?
The canonical SMILES for 2-chloro-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccccc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-(1-phenylethyl)benzamide?
The InChIKey is PTFMGAMWYMRCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c1-11(12-7-3-2-4-8-12)17-15(18)13-9-5-6-10-14(13)16/h2-11H,1H3,(H,17,18).
What are the key properties of 2-chloro-N-(1-phenylethyl)benzamide?
2-chloro-N-(1-phenylethyl)benzamide has a molecular weight of 259.74 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 2869527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).