N-(2-benzoyl-4-chlorophenyl)-3-chloro-4-methoxybenzamide

C21H15Cl2NO3 — CID 2296038

IUPACN-(2-benzoyl-4-chlorophenyl)-3-chloro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C21H15Cl2NO3/c1-27-19-10-7-14(11-17(19)23)21(26)24-18-9-8-15(22)12-16(18)20(25)13-5-3-2-4-6-13/h2-12H,1H3,(H,24,26)
InChIKeyLOVGPWZEHBFJLU-UHFFFAOYSA-N
MW400.26 g/mol
LogP5.49
Rot. Bonds5

About N-(2-benzoyl-4-chlorophenyl)-3-chloro-4-methoxybenzamide

N-(2-benzoyl-4-chlorophenyl)-3-chloro-4-methoxybenzamide (PubChem CID 2296038) has the molecular formula C21H15Cl2NO3 and a molecular weight of 400.26 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-3-chloro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-3-chloro-4-methoxybenzamide
PubChem CID2296038
Molecular FormulaC21H15Cl2NO3
Molecular Weight400.26 g/mol
Exact Mass399.04
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-3-chloro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C21H15Cl2NO3/c1-27-19-10-7-14(11-17(19)23)21(26)24-18-9-8-15(22)12-16(18)20(25)13-5-3-2-4-6-13/h2-12H,1H3,(H,24,26)
InChIKeyLOVGPWZEHBFJLU-UHFFFAOYSA-N
XLogP5.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.26
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-3,5-dichloro-4-methoxybenzamide
CID 4512455
N-(2-benzoyl-4-bromophenyl)-5-chloro-2-methoxybenzamide
CID 4546153
3-benzamido-N-(2-benzoyl-4-chlorophenyl)-4-methylbenzamide
CID 17226391
3-chloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methoxybenzamide
CID 95733559
2-benzoyl-N-(5-chloro-2-methoxyphenyl)benzamide
CID 16624498
N-(2-benzoyl-4-bromophenyl)-3,4-dimethoxybenzamide
CID 21204048
N-(2-benzoyl-4-chlorophenyl)-4-(dimethylamino)benzamide
CID 3539532
(3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43161713
N-(2-benzoyl-4-methylphenyl)-2,5-dichlorobenzamide
CID 23879994
N-(2-benzoyl-4-chlorophenyl)-4-ethylsulfanylbenzamide
CID 41044373
N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 3544695
3-chloro-4-methoxy-N-(2-sulfanylphenyl)benzamide
CID 23968766

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-3-chloro-4-methoxybenzamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-3-chloro-4-methoxybenzamide (CID 2296038) is N-(2-benzoyl-4-chlorophenyl)-3-chloro-4-methoxybenzamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-3-chloro-4-methoxybenzamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-3-chloro-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1Cl.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-3-chloro-4-methoxybenzamide?
The InChIKey is LOVGPWZEHBFJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2NO3/c1-27-19-10-7-14(11-17(19)23)21(26)24-18-9-8-15(22)12-16(18)20(25)13-5-3-2-4-6-13/h2-12H,1H3,(H,24,26).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-3-chloro-4-methoxybenzamide?
N-(2-benzoyl-4-chlorophenyl)-3-chloro-4-methoxybenzamide has a molecular weight of 400.26 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-3-chloro-4-methoxybenzamide is sourced from PubChem (CID 2296038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).