N-[(2-chlorophenyl)methyl]-2-(2-phenylethyl)benzamide

C22H20ClNO — CID 2574426

IUPACN-[(2-chlorophenyl)methyl]-2-(2-phenylethyl)benzamide
SMILESO=C(NCc1ccccc1Cl)c1ccccc1CCc1ccccc1
InChIInChI=1S/C22H20ClNO/c23-21-13-7-5-11-19(21)16-24-22(25)20-12-6-4-10-18(20)15-14-17-8-2-1-3-9-17/h1-13H,14-16H2,(H,24,25)
InChIKeyIWFWHSUCTKBODS-UHFFFAOYSA-N
MW349.86 g/mol
LogP5.06
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-(2-phenylethyl)benzamide

N-[(2-chlorophenyl)methyl]-2-(2-phenylethyl)benzamide (PubChem CID 2574426) has the molecular formula C22H20ClNO and a molecular weight of 349.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(2-phenylethyl)benzamide
PubChem CID2574426
Molecular FormulaC22H20ClNO
Molecular Weight349.86 g/mol
Exact Mass349.12
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(2-phenylethyl)benzamide
SMILESO=C(NCc1ccccc1Cl)c1ccccc1CCc1ccccc1
InChIInChI=1S/C22H20ClNO/c23-21-13-7-5-11-19(21)16-24-22(25)20-12-6-4-10-18(20)15-14-17-8-2-1-3-9-17/h1-13H,14-16H2,(H,24,25)
InChIKeyIWFWHSUCTKBODS-UHFFFAOYSA-N
XLogP5.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.86
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2-phenylethyl)benzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2-phenylethyl)benzamide (CID 2574426) is N-[(2-chlorophenyl)methyl]-2-(2-phenylethyl)benzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(2-phenylethyl)benzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(2-phenylethyl)benzamide is O=C(NCc1ccccc1Cl)c1ccccc1CCc1ccccc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(2-phenylethyl)benzamide?
The InChIKey is IWFWHSUCTKBODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO/c23-21-13-7-5-11-19(21)16-24-22(25)20-12-6-4-10-18(20)15-14-17-8-2-1-3-9-17/h1-13H,14-16H2,(H,24,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(2-phenylethyl)benzamide?
N-[(2-chlorophenyl)methyl]-2-(2-phenylethyl)benzamide has a molecular weight of 349.86 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(2-phenylethyl)benzamide is sourced from PubChem (CID 2574426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).