2-benzyl-N-chloro-4-phenylbenzamide

C20H16ClNO — CID 87312405

IUPAC2-benzyl-N-chloro-4-phenylbenzamide
SMILESO=C(NCl)c1ccc(-c2ccccc2)cc1Cc1ccccc1
InChIInChI=1S/C20H16ClNO/c21-22-20(23)19-12-11-17(16-9-5-2-6-10-16)14-18(19)13-15-7-3-1-4-8-15/h1-12,14H,13H2,(H,22,23)
InChIKeyAPDLOIQYTISISX-UHFFFAOYSA-N
MW321.81 g/mol
LogP4.83
Rot. Bonds4

About 2-benzyl-N-chloro-4-phenylbenzamide

2-benzyl-N-chloro-4-phenylbenzamide (PubChem CID 87312405) has the molecular formula C20H16ClNO and a molecular weight of 321.81 g/mol. Its IUPAC name is 2-benzyl-N-chloro-4-phenylbenzamide.

Molecular Properties

Compound Name2-benzyl-N-chloro-4-phenylbenzamide
PubChem CID87312405
Molecular FormulaC20H16ClNO
Molecular Weight321.81 g/mol
Exact Mass321.09
IUPAC Name2-benzyl-N-chloro-4-phenylbenzamide
SMILESO=C(NCl)c1ccc(-c2ccccc2)cc1Cc1ccccc1
InChIInChI=1S/C20H16ClNO/c21-22-20(23)19-12-11-17(16-9-5-2-6-10-16)14-18(19)13-15-7-3-1-4-8-15/h1-12,14H,13H2,(H,22,23)
InChIKeyAPDLOIQYTISISX-UHFFFAOYSA-N
XLogP4.83
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 ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-N-methoxy-N,4-diphenylbenzamide
CID 87843433
4-(3-benzylphenyl)phenol
CID 101277658
2-benzyl-4-fluorobenzoic acid
CID 68960960
2-[(4-phenylphenyl)methyl]benzoate
CID 2290992
1-(2,4-dibenzylphenyl)ethanone
CID 70182248
1,4-bis(3-benzylphenyl)benzene
CID 175442136
methyl 2-benzyl-4-methoxybenzoate
CID 166447478
methyl 2-[(2-benzylbenzoyl)amino]acetate
CID 78800072
2-chloro-4-phenylbenzoic acid
CID 21487426
2-(methylamino)-3-(3-phenylphenyl)propanoic acid
CID 59021845
2-(4-phenylphenyl)acetyl chloride
CID 11264727
2-benzyl-4-cyanobenzoic acid
CID 174901018

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-chloro-4-phenylbenzamide?
The IUPAC name of 2-benzyl-N-chloro-4-phenylbenzamide (CID 87312405) is 2-benzyl-N-chloro-4-phenylbenzamide.
What is the SMILES notation for 2-benzyl-N-chloro-4-phenylbenzamide?
The canonical SMILES for 2-benzyl-N-chloro-4-phenylbenzamide is O=C(NCl)c1ccc(-c2ccccc2)cc1Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-chloro-4-phenylbenzamide?
The InChIKey is APDLOIQYTISISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO/c21-22-20(23)19-12-11-17(16-9-5-2-6-10-16)14-18(19)13-15-7-3-1-4-8-15/h1-12,14H,13H2,(H,22,23).
What are the key properties of 2-benzyl-N-chloro-4-phenylbenzamide?
2-benzyl-N-chloro-4-phenylbenzamide has a molecular weight of 321.81 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-chloro-4-phenylbenzamide is sourced from PubChem (CID 87312405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).