2-benzyl-N-(5-chloro-2-methoxyphenyl)benzamide

C21H18ClNO2 — CID 26095026

IUPAC2-benzyl-N-(5-chloro-2-methoxyphenyl)benzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccccc1Cc1ccccc1
InChIInChI=1S/C21H18ClNO2/c1-25-20-12-11-17(22)14-19(20)23-21(24)18-10-6-5-9-16(18)13-15-7-3-2-4-8-15/h2-12,14H,13H2,1H3,(H,23,24)
InChIKeyOKHUNPNZRUHKEH-UHFFFAOYSA-N
MW351.83 g/mol
LogP5.19
Rot. Bonds5

About 2-benzyl-N-(5-chloro-2-methoxyphenyl)benzamide

2-benzyl-N-(5-chloro-2-methoxyphenyl)benzamide (PubChem CID 26095026) has the molecular formula C21H18ClNO2 and a molecular weight of 351.83 g/mol. Its IUPAC name is 2-benzyl-N-(5-chloro-2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name2-benzyl-N-(5-chloro-2-methoxyphenyl)benzamide
PubChem CID26095026
Molecular FormulaC21H18ClNO2
Molecular Weight351.83 g/mol
Exact Mass351.10
IUPAC Name2-benzyl-N-(5-chloro-2-methoxyphenyl)benzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccccc1Cc1ccccc1
InChIInChI=1S/C21H18ClNO2/c1-25-20-12-11-17(22)14-19(20)23-21(24)18-10-6-5-9-16(18)13-15-7-3-2-4-8-15/h2-12,14H,13H2,1H3,(H,23,24)
InChIKeyOKHUNPNZRUHKEH-UHFFFAOYSA-N
XLogP5.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.83
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-N-(2-methoxyphenyl)benzamide
CID 26914966
2-benzoyl-N-(5-chloro-2-methoxyphenyl)benzamide
CID 16624498
N-(2-benzylphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 8903100
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 9413480
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-phenylethyl)benzamide
CID 1249675
4-chloro-N-(5-chloro-2-methoxyphenyl)-2-hydroxybenzamide
CID 29286691
2-[(2-benzylbenzoyl)amino]-3-methoxybenzoic acid
CID 139785553
4-chloro-N-[2-(chloromethyl)phenyl]-2-methoxybenzamide
CID 114298257
N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)acetamide
CID 2666806
5-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-2-methylbenzamide
CID 30281901
N-(5-chloro-2-fluorophenyl)-2-methoxybenzamide
CID 8759235
N-[4-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-2-fluorobenzamide
CID 141024299

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(5-chloro-2-methoxyphenyl)benzamide?
The IUPAC name of 2-benzyl-N-(5-chloro-2-methoxyphenyl)benzamide (CID 26095026) is 2-benzyl-N-(5-chloro-2-methoxyphenyl)benzamide.
What is the SMILES notation for 2-benzyl-N-(5-chloro-2-methoxyphenyl)benzamide?
The canonical SMILES for 2-benzyl-N-(5-chloro-2-methoxyphenyl)benzamide is COc1ccc(Cl)cc1NC(=O)c1ccccc1Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-(5-chloro-2-methoxyphenyl)benzamide?
The InChIKey is OKHUNPNZRUHKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO2/c1-25-20-12-11-17(22)14-19(20)23-21(24)18-10-6-5-9-16(18)13-15-7-3-2-4-8-15/h2-12,14H,13H2,1H3,(H,23,24).
What are the key properties of 2-benzyl-N-(5-chloro-2-methoxyphenyl)benzamide?
2-benzyl-N-(5-chloro-2-methoxyphenyl)benzamide has a molecular weight of 351.83 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(5-chloro-2-methoxyphenyl)benzamide is sourced from PubChem (CID 26095026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).