N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-phenylethyl)benzamide

C23H22ClNO3 — CID 1249675

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-(2-phenylethyl)benzamide
SMILESCOc1cc(OC)c(NC(=O)c2ccccc2CCc2ccccc2)cc1Cl
InChIInChI=1S/C23H22ClNO3/c1-27-21-15-22(28-2)20(14-19(21)24)25-23(26)18-11-7-6-10-17(18)13-12-16-8-4-3-5-9-16/h3-11,14-15H,12-13H2,1-2H3,(H,25,26)
InChIKeyWMCCEHNNVRSKRN-UHFFFAOYSA-N
MW395.89 g/mol
LogP5.39
Rot. Bonds7

About N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-phenylethyl)benzamide

N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-phenylethyl)benzamide (PubChem CID 1249675) has the molecular formula C23H22ClNO3 and a molecular weight of 395.89 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-(2-phenylethyl)benzamide
PubChem CID1249675
Molecular FormulaC23H22ClNO3
Molecular Weight395.89 g/mol
Exact Mass395.13
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-(2-phenylethyl)benzamide
SMILESCOc1cc(OC)c(NC(=O)c2ccccc2CCc2ccccc2)cc1Cl
InChIInChI=1S/C23H22ClNO3/c1-27-21-15-22(28-2)20(14-19(21)24)25-23(26)18-11-7-6-10-17(18)13-12-16-8-4-3-5-9-16/h3-11,14-15H,12-13H2,1-2H3,(H,25,26)
InChIKeyWMCCEHNNVRSKRN-UHFFFAOYSA-N
XLogP5.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.89
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 772092
N-(5-chloro-2,4-dimethoxyphenyl)naphthalene-1-carboxamide
CID 823910
N-(5-chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide
CID 836294
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
N-(4-chloro-2,5-dimethoxyphenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393516
2-benzyl-N-(5-chloro-2-methoxyphenyl)benzamide
CID 26095026
N-(5-chloro-2,4-dimethoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide
CID 51310881
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-phenylethyl)benzamide
CID 46764322
2-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 41428663
2-[[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]carbamoyl]benzoic acid
CID 1428068
sodium 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]naphthalen-2-olate
CID 23668732
N-(5-chloro-2,4-dimethoxyphenyl)-2-methylquinoline-4-carboxamide
CID 26210631

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-phenylethyl)benzamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-phenylethyl)benzamide (CID 1249675) is N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-phenylethyl)benzamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-phenylethyl)benzamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-phenylethyl)benzamide is COc1cc(OC)c(NC(=O)c2ccccc2CCc2ccccc2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-phenylethyl)benzamide?
The InChIKey is WMCCEHNNVRSKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO3/c1-27-21-15-22(28-2)20(14-19(21)24)25-23(26)18-11-7-6-10-17(18)13-12-16-8-4-3-5-9-16/h3-11,14-15H,12-13H2,1-2H3,(H,25,26).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-phenylethyl)benzamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-phenylethyl)benzamide has a molecular weight of 395.89 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-phenylethyl)benzamide is sourced from PubChem (CID 1249675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).