N-(4-benzamido-3-methylphenyl)-5-bromo-2-methoxy-3-methylbenzamide

C23H21BrN2O3 — CID 3433416

IUPACN-(4-benzamido-3-methylphenyl)-5-bromo-2-methoxy-3-methylbenzamide
SMILESCOc1c(C)cc(Br)cc1C(=O)Nc1ccc(NC(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C23H21BrN2O3/c1-14-12-18(9-10-20(14)26-22(27)16-7-5-4-6-8-16)25-23(28)19-13-17(24)11-15(2)21(19)29-3/h4-13H,1-3H3,(H,25,28)(H,26,27)
InChIKeyBBEWEWXPIACBDI-UHFFFAOYSA-N
MW453.34 g/mol
LogP5.58
Rot. Bonds5

About N-(4-benzamido-3-methylphenyl)-5-bromo-2-methoxy-3-methylbenzamide

N-(4-benzamido-3-methylphenyl)-5-bromo-2-methoxy-3-methylbenzamide (PubChem CID 3433416) has the molecular formula C23H21BrN2O3 and a molecular weight of 453.34 g/mol. Its IUPAC name is N-(4-benzamido-3-methylphenyl)-5-bromo-2-methoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(4-benzamido-3-methylphenyl)-5-bromo-2-methoxy-3-methylbenzamide
PubChem CID3433416
Molecular FormulaC23H21BrN2O3
Molecular Weight453.34 g/mol
Exact Mass452.07
IUPAC NameN-(4-benzamido-3-methylphenyl)-5-bromo-2-methoxy-3-methylbenzamide
SMILESCOc1c(C)cc(Br)cc1C(=O)Nc1ccc(NC(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C23H21BrN2O3/c1-14-12-18(9-10-20(14)26-22(27)16-7-5-4-6-8-16)25-23(28)19-13-17(24)11-15(2)21(19)29-3/h4-13H,1-3H3,(H,25,28)(H,26,27)
InChIKeyBBEWEWXPIACBDI-UHFFFAOYSA-N
XLogP5.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.34
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]-3-methylbenzoic acid
CID 28674733
N-(4-benzamido-3-methylphenyl)-3,5-dichloro-2-methoxybenzamide
CID 22778979
4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]benzoic acid
CID 28674729
5-bromo-N-(3-bromophenyl)-2-methoxy-3-methylbenzamide
CID 3979736
5-bromo-2-methoxy-3-methyl-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 3950855
N-(4-benzamido-3-methylphenyl)-3-methoxybenzamide
CID 1365764
N-(4-acetamidophenyl)-5-bromo-2-methoxy-3-methylbenzamide
CID 5153550
5-bromo-2-methoxy-N-(2-methoxyphenyl)-3-methylbenzamide
CID 3550371
5-bromo-N-(3-chlorophenyl)-2-methoxy-3-methylbenzamide
CID 3353174
N-(4-benzamido-3-methylphenyl)-2,4-dimethylbenzamide
CID 1288920
3-[(5-bromo-2-methoxy-3-methylbenzoyl)carbamothioylamino]benzoic acid
CID 22777929
N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide
CID 1365594

Frequently Asked Questions

What is the IUPAC name of N-(4-benzamido-3-methylphenyl)-5-bromo-2-methoxy-3-methylbenzamide?
The IUPAC name of N-(4-benzamido-3-methylphenyl)-5-bromo-2-methoxy-3-methylbenzamide (CID 3433416) is N-(4-benzamido-3-methylphenyl)-5-bromo-2-methoxy-3-methylbenzamide.
What is the SMILES notation for N-(4-benzamido-3-methylphenyl)-5-bromo-2-methoxy-3-methylbenzamide?
The canonical SMILES for N-(4-benzamido-3-methylphenyl)-5-bromo-2-methoxy-3-methylbenzamide is COc1c(C)cc(Br)cc1C(=O)Nc1ccc(NC(=O)c2ccccc2)c(C)c1.
What is the InChIKey of N-(4-benzamido-3-methylphenyl)-5-bromo-2-methoxy-3-methylbenzamide?
The InChIKey is BBEWEWXPIACBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O3/c1-14-12-18(9-10-20(14)26-22(27)16-7-5-4-6-8-16)25-23(28)19-13-17(24)11-15(2)21(19)29-3/h4-13H,1-3H3,(H,25,28)(H,26,27).
What are the key properties of N-(4-benzamido-3-methylphenyl)-5-bromo-2-methoxy-3-methylbenzamide?
N-(4-benzamido-3-methylphenyl)-5-bromo-2-methoxy-3-methylbenzamide has a molecular weight of 453.34 g/mol, XLogP of 5.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzamido-3-methylphenyl)-5-bromo-2-methoxy-3-methylbenzamide is sourced from PubChem (CID 3433416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).