2-chloro-N-(2-phenylpropyl)benzamide

C16H16ClNO — CID 3116854

IUPAC2-chloro-N-(2-phenylpropyl)benzamide
SMILESCC(CNC(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C16H16ClNO/c1-12(13-7-3-2-4-8-13)11-18-16(19)14-9-5-6-10-15(14)17/h2-10,12H,11H2,1H3,(H,18,19)
InChIKeyKLXLGIAAQJGJFA-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.87
Rot. Bonds4

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

2-chloro-N-(2-phenylpropyl)benzamide (PubChem CID 3116854) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 2-chloro-N-(2-phenylpropyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-phenylpropyl)benzamide
PubChem CID3116854
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name2-chloro-N-(2-phenylpropyl)benzamide
SMILESCC(CNC(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C16H16ClNO/c1-12(13-7-3-2-4-8-13)11-18-16(19)14-9-5-6-10-15(14)17/h2-10,12H,11H2,1H3,(H,18,19)
InChIKeyKLXLGIAAQJGJFA-UHFFFAOYSA-N
XLogP3.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.87
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-phenylpropyl)benzamide?
The IUPAC name of 2-chloro-N-(2-phenylpropyl)benzamide (CID 3116854) is 2-chloro-N-(2-phenylpropyl)benzamide.
What is the SMILES notation for 2-chloro-N-(2-phenylpropyl)benzamide?
The canonical SMILES for 2-chloro-N-(2-phenylpropyl)benzamide is CC(CNC(=O)c1ccccc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-(2-phenylpropyl)benzamide?
The InChIKey is KLXLGIAAQJGJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-12(13-7-3-2-4-8-13)11-18-16(19)14-9-5-6-10-15(14)17/h2-10,12H,11H2,1H3,(H,18,19).
What are the key properties of 2-chloro-N-(2-phenylpropyl)benzamide?
2-chloro-N-(2-phenylpropyl)benzamide has a molecular weight of 273.76 g/mol, XLogP of 3.87, 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-phenylpropyl)benzamide is sourced from PubChem (CID 3116854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).