N-[(2-chlorophenyl)methyl]-4-phenylbenzamide

C20H16ClNO — CID 2430746

IUPACN-[(2-chlorophenyl)methyl]-4-phenylbenzamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H16ClNO/c21-19-9-5-4-8-18(19)14-22-20(23)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-13H,14H2,(H,22,23)
InChIKeyMZYARSUCGYSNMJ-UHFFFAOYSA-N
MW321.81 g/mol
LogP4.94
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-4-phenylbenzamide

N-[(2-chlorophenyl)methyl]-4-phenylbenzamide (PubChem CID 2430746) has the molecular formula C20H16ClNO and a molecular weight of 321.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-phenylbenzamide
PubChem CID2430746
Molecular FormulaC20H16ClNO
Molecular Weight321.81 g/mol
Exact Mass321.09
IUPAC NameN-[(2-chlorophenyl)methyl]-4-phenylbenzamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H16ClNO/c21-19-9-5-4-8-18(19)14-22-20(23)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-13H,14H2,(H,22,23)
InChIKeyMZYARSUCGYSNMJ-UHFFFAOYSA-N
XLogP4.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 54.94
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]-4-phenylbenzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-phenylbenzamide (CID 2430746) is N-[(2-chlorophenyl)methyl]-4-phenylbenzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-phenylbenzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-phenylbenzamide is O=C(NCc1ccccc1Cl)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-phenylbenzamide?
The InChIKey is MZYARSUCGYSNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO/c21-19-9-5-4-8-18(19)14-22-20(23)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-13H,14H2,(H,22,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-phenylbenzamide?
N-[(2-chlorophenyl)methyl]-4-phenylbenzamide has a molecular weight of 321.81 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-phenylbenzamide is sourced from PubChem (CID 2430746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).