N-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzamide

C22H20ClNO — CID 2125817

IUPACN-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccccc1CCc1ccccc1
InChIInChI=1S/C22H20ClNO/c23-20-14-11-18(12-15-20)16-24-22(25)21-9-5-4-8-19(21)13-10-17-6-2-1-3-7-17/h1-9,11-12,14-15H,10,13,16H2,(H,24,25)
InChIKeyOOHGYDYKINSFCV-UHFFFAOYSA-N
MW349.86 g/mol
LogP5.06
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzamide

N-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzamide (PubChem CID 2125817) has the molecular formula C22H20ClNO and a molecular weight of 349.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzamide
PubChem CID2125817
Molecular FormulaC22H20ClNO
Molecular Weight349.86 g/mol
Exact Mass349.12
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccccc1CCc1ccccc1
InChIInChI=1S/C22H20ClNO/c23-20-14-11-18(12-15-20)16-24-22(25)21-9-5-4-8-19(21)13-10-17-6-2-1-3-7-17/h1-9,11-12,14-15H,10,13,16H2,(H,24,25)
InChIKeyOOHGYDYKINSFCV-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-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzamide (CID 2125817) is N-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzamide is O=C(NCc1ccc(Cl)cc1)c1ccccc1CCc1ccccc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzamide?
The InChIKey is OOHGYDYKINSFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO/c23-20-14-11-18(12-15-20)16-24-22(25)21-9-5-4-8-19(21)13-10-17-6-2-1-3-7-17/h1-9,11-12,14-15H,10,13,16H2,(H,24,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzamide?
N-[(4-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-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzamide is sourced from PubChem (CID 2125817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).