N-(2-benzoyl-4-bromophenyl)-5-chloro-2-methoxybenzamide

C21H15BrClNO3 — CID 4546153

IUPACN-(2-benzoyl-4-bromophenyl)-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1
InChIInChI=1S/C21H15BrClNO3/c1-27-19-10-8-15(23)12-17(19)21(26)24-18-9-7-14(22)11-16(18)20(25)13-5-3-2-4-6-13/h2-12H,1H3,(H,24,26)
InChIKeyCFFQGYUZZORMOM-UHFFFAOYSA-N
MW444.71 g/mol
LogP5.59
Rot. Bonds5

About N-(2-benzoyl-4-bromophenyl)-5-chloro-2-methoxybenzamide

N-(2-benzoyl-4-bromophenyl)-5-chloro-2-methoxybenzamide (PubChem CID 4546153) has the molecular formula C21H15BrClNO3 and a molecular weight of 444.71 g/mol. Its IUPAC name is N-(2-benzoyl-4-bromophenyl)-5-chloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-bromophenyl)-5-chloro-2-methoxybenzamide
PubChem CID4546153
Molecular FormulaC21H15BrClNO3
Molecular Weight444.71 g/mol
Exact Mass442.99
IUPAC NameN-(2-benzoyl-4-bromophenyl)-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1
InChIInChI=1S/C21H15BrClNO3/c1-27-19-10-8-15(23)12-17(19)21(26)24-18-9-7-14(22)11-16(18)20(25)13-5-3-2-4-6-13/h2-12H,1H3,(H,24,26)
InChIKeyCFFQGYUZZORMOM-UHFFFAOYSA-N
XLogP5.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.71
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzoyl-4-bromophenyl)-3,4-dimethoxybenzamide
CID 21204048
N-(2-benzoyl-4-chlorophenyl)-3-chloro-4-methoxybenzamide
CID 2296038
N-(2-benzoyl-4-bromophenyl)-2,3-dimethoxybenzamide
CID 40996274
2-[(5-bromo-2-methoxybenzoyl)amino]-4-chlorobenzoic acid
CID 1231034
2-benzoyl-N-(5-chloro-2-methoxyphenyl)benzamide
CID 16624498
5-bromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 1121307
2-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-5-chlorobenzoic acid
CID 1304122
N-(5-bromo-2-cyanophenyl)-5-chloro-2-methoxybenzamide
CID 104880310
N-(2-benzoyl-4-chlorophenyl)-3,5-dichloro-4-methoxybenzamide
CID 4512455
N-(2-benzoyl-4-methylphenyl)-2,5-dichlorobenzamide
CID 23879994
N-(2-benzoyl-4-chlorophenyl)-5-bromo-2,3,4-trimethylbenzamide
CID 3500532
5-bromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide
CID 4660639

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-bromophenyl)-5-chloro-2-methoxybenzamide?
The IUPAC name of N-(2-benzoyl-4-bromophenyl)-5-chloro-2-methoxybenzamide (CID 4546153) is N-(2-benzoyl-4-bromophenyl)-5-chloro-2-methoxybenzamide.
What is the SMILES notation for N-(2-benzoyl-4-bromophenyl)-5-chloro-2-methoxybenzamide?
The canonical SMILES for N-(2-benzoyl-4-bromophenyl)-5-chloro-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoyl-4-bromophenyl)-5-chloro-2-methoxybenzamide?
The InChIKey is CFFQGYUZZORMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrClNO3/c1-27-19-10-8-15(23)12-17(19)21(26)24-18-9-7-14(22)11-16(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-bromophenyl)-5-chloro-2-methoxybenzamide?
N-(2-benzoyl-4-bromophenyl)-5-chloro-2-methoxybenzamide has a molecular weight of 444.71 g/mol, XLogP of 5.59, 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-bromophenyl)-5-chloro-2-methoxybenzamide is sourced from PubChem (CID 4546153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).