5-bromo-2-methoxy-3-methyl-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide

C23H21BrN2O3 — CID 3950855

IUPAC5-bromo-2-methoxy-3-methyl-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
SMILESCOc1c(C)cc(Br)cc1C(=O)Nc1cccc(NC(=O)c2ccccc2C)c1
InChIInChI=1S/C23H21BrN2O3/c1-14-7-4-5-10-19(14)22(27)25-17-8-6-9-18(13-17)26-23(28)20-12-16(24)11-15(2)21(20)29-3/h4-13H,1-3H3,(H,25,27)(H,26,28)
InChIKeyNTJTXLPERUYNCU-UHFFFAOYSA-N
MW453.34 g/mol
LogP5.58
Rot. Bonds5

About 5-bromo-2-methoxy-3-methyl-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide

5-bromo-2-methoxy-3-methyl-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide (PubChem CID 3950855) has the molecular formula C23H21BrN2O3 and a molecular weight of 453.34 g/mol. Its IUPAC name is 5-bromo-2-methoxy-3-methyl-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-3-methyl-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
PubChem CID3950855
Molecular FormulaC23H21BrN2O3
Molecular Weight453.34 g/mol
Exact Mass452.07
IUPAC Name5-bromo-2-methoxy-3-methyl-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
SMILESCOc1c(C)cc(Br)cc1C(=O)Nc1cccc(NC(=O)c2ccccc2C)c1
InChIInChI=1S/C23H21BrN2O3/c1-14-7-4-5-10-19(14)22(27)25-17-8-6-9-18(13-17)26-23(28)20-12-16(24)11-15(2)21(20)29-3/h4-13H,1-3H3,(H,25,27)(H,26,28)
InChIKeyNTJTXLPERUYNCU-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

5-bromo-N-(3-bromophenyl)-2-methoxy-3-methylbenzamide
CID 3979736
5-bromo-N-(3-chlorophenyl)-2-methoxy-3-methylbenzamide
CID 3353174
N-(4-acetamidophenyl)-5-bromo-2-methoxy-3-methylbenzamide
CID 5153550
3,5-dichloro-2-methoxy-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 22778984
N-(4-benzamido-3-methylphenyl)-5-bromo-2-methoxy-3-methylbenzamide
CID 3433416
4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]benzoic acid
CID 28674729
5-bromo-2-methoxy-N-(2-methoxyphenyl)-3-methylbenzamide
CID 3550371
5-bromo-N-[(3-chlorophenyl)carbamothioyl]-2-methoxy-3-methylbenzamide
CID 22776187
N-(3-acetamidophenyl)-5-chloro-2-methoxy-3-methylbenzamide
CID 110762997
3,5-dibromo-N-(3-chlorophenyl)-2-methoxybenzamide
CID 3324491
N-[4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]phenyl]-2-methylbenzamide
CID 17251645
3-[(5-bromo-2-methoxy-3-methylbenzoyl)carbamothioylamino]benzoic acid
CID 22777929

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-3-methyl-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide?
The IUPAC name of 5-bromo-2-methoxy-3-methyl-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide (CID 3950855) is 5-bromo-2-methoxy-3-methyl-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-methoxy-3-methyl-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide?
The canonical SMILES for 5-bromo-2-methoxy-3-methyl-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide is COc1c(C)cc(Br)cc1C(=O)Nc1cccc(NC(=O)c2ccccc2C)c1.
What is the InChIKey of 5-bromo-2-methoxy-3-methyl-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide?
The InChIKey is NTJTXLPERUYNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O3/c1-14-7-4-5-10-19(14)22(27)25-17-8-6-9-18(13-17)26-23(28)20-12-16(24)11-15(2)21(20)29-3/h4-13H,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 5-bromo-2-methoxy-3-methyl-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide?
5-bromo-2-methoxy-3-methyl-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide 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 5-bromo-2-methoxy-3-methyl-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide is sourced from PubChem (CID 3950855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).