N-(2-benzoyl-4-chlorophenyl)-3,5-dichloro-4-methoxybenzamide

C21H14Cl3NO3 — CID 4512455

IUPACN-(2-benzoyl-4-chlorophenyl)-3,5-dichloro-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C21H14Cl3NO3/c1-28-20-16(23)9-13(10-17(20)24)21(27)25-18-8-7-14(22)11-15(18)19(26)12-5-3-2-4-6-12/h2-11H,1H3,(H,25,27)
InChIKeyAPKVOLBZRBTILH-UHFFFAOYSA-N
MW434.71 g/mol
LogP6.14
Rot. Bonds5

About N-(2-benzoyl-4-chlorophenyl)-3,5-dichloro-4-methoxybenzamide

N-(2-benzoyl-4-chlorophenyl)-3,5-dichloro-4-methoxybenzamide (PubChem CID 4512455) has the molecular formula C21H14Cl3NO3 and a molecular weight of 434.71 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-3,5-dichloro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-3,5-dichloro-4-methoxybenzamide
PubChem CID4512455
Molecular FormulaC21H14Cl3NO3
Molecular Weight434.71 g/mol
Exact Mass433.00
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-3,5-dichloro-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C21H14Cl3NO3/c1-28-20-16(23)9-13(10-17(20)24)21(27)25-18-8-7-14(22)11-15(18)19(26)12-5-3-2-4-6-12/h2-11H,1H3,(H,25,27)
InChIKeyAPKVOLBZRBTILH-UHFFFAOYSA-N
XLogP6.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.71
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-3-chloro-4-methoxybenzamide
CID 2296038
3,5-dichloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methoxybenzamide
CID 95733581
N-(2-benzoyl-4-methylphenyl)-2,5-dichlorobenzamide
CID 23879994
N'-benzoyl-3,5-dichloro-4-methoxybenzohydrazide
CID 51218002
2-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate
CID 7375111
N-(2-benzoyl-4-bromophenyl)-5-chloro-2-methoxybenzamide
CID 4546153
methyl 3-[(2-benzoyl-4-chlorophenyl)carbamoyl]-5-nitrobenzoate
CID 1279650
N-(2-benzoyl-4-chlorophenyl)-4-(dimethylamino)benzamide
CID 3539532
3-benzamido-N-(2-benzoyl-4-chlorophenyl)-4-methylbenzamide
CID 17226391
[5-chloro-2-(methoxyamino)phenyl]-phenylmethanone
CID 145356956
N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-iodobenzamide
CID 2295317
N-(2-benzoyl-4-chlorophenyl)-4-ethylsulfanylbenzamide
CID 41044373

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-3,5-dichloro-4-methoxybenzamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-3,5-dichloro-4-methoxybenzamide (CID 4512455) is N-(2-benzoyl-4-chlorophenyl)-3,5-dichloro-4-methoxybenzamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-3,5-dichloro-4-methoxybenzamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-3,5-dichloro-4-methoxybenzamide is COc1c(Cl)cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1Cl.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-3,5-dichloro-4-methoxybenzamide?
The InChIKey is APKVOLBZRBTILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl3NO3/c1-28-20-16(23)9-13(10-17(20)24)21(27)25-18-8-7-14(22)11-15(18)19(26)12-5-3-2-4-6-12/h2-11H,1H3,(H,25,27).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-3,5-dichloro-4-methoxybenzamide?
N-(2-benzoyl-4-chlorophenyl)-3,5-dichloro-4-methoxybenzamide has a molecular weight of 434.71 g/mol, XLogP of 6.14, 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)-3,5-dichloro-4-methoxybenzamide is sourced from PubChem (CID 4512455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).