5-bromo-2-methoxy-3-methyl-N-(2-methylphenyl)benzamide

C16H16BrNO2 — CID 953794

IUPAC5-bromo-2-methoxy-3-methyl-N-(2-methylphenyl)benzamide
SMILESCOc1c(C)cc(Br)cc1C(=O)Nc1ccccc1C
InChIInChI=1S/C16H16BrNO2/c1-10-6-4-5-7-14(10)18-16(19)13-9-12(17)8-11(2)15(13)20-3/h4-9H,1-3H3,(H,18,19)
InChIKeyPEGYXNAWMNJLTK-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.33
Rot. Bonds3

About 5-bromo-2-methoxy-3-methyl-N-(2-methylphenyl)benzamide

5-bromo-2-methoxy-3-methyl-N-(2-methylphenyl)benzamide (PubChem CID 953794) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 5-bromo-2-methoxy-3-methyl-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-3-methyl-N-(2-methylphenyl)benzamide
PubChem CID953794
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name5-bromo-2-methoxy-3-methyl-N-(2-methylphenyl)benzamide
SMILESCOc1c(C)cc(Br)cc1C(=O)Nc1ccccc1C
InChIInChI=1S/C16H16BrNO2/c1-10-6-4-5-7-14(10)18-16(19)13-9-12(17)8-11(2)15(13)20-3/h4-9H,1-3H3,(H,18,19)
InChIKeyPEGYXNAWMNJLTK-UHFFFAOYSA-N
XLogP4.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-[3-[(3-methylbenzoyl)amino]phenyl]benzamide
CID 46785920
Benzofurane-7-carboxamide, 2,3-dihydro-5-bromo-N-(3-trifluoromethylphenyl)-
CID 614539
2-methoxy-N-(4-methylphenyl)benzamide
CID 780793
N-(4-bromophenyl)-2-methoxybenzamide
CID 531916
N-(4-bromo-2-methylphenyl)-2-methoxybenzamide
CID 873426
5-bromo-2-methoxy-3-methyl-N-(4-sulfamoylphenyl)benzamide
CID 1017645
[2-[(4-bromophenyl)carbamoyl]phenyl] Acetate
CID 3363736
N-{4-[3-(5-bromo-2-methoxyphenyl)acryloyl]phenyl}acetamide
CID 5738109
1-N,3-N-bis(2-bromophenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 25059700
3-bromo-4-fluoro-N-(3-methoxyphenyl)benzamide
CID 25176085
5-Bromo-N-(3-methylphenyl)-2-[(phenylmethyl)oxy]benzamide
CID 51356954
5-Bromo-N-(3-chlorophenyl)-2-[(phenylmethyl)oxy]benzamide
CID 51356955

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-3-methyl-N-(2-methylphenyl)benzamide?
The IUPAC name of 5-bromo-2-methoxy-3-methyl-N-(2-methylphenyl)benzamide (CID 953794) is 5-bromo-2-methoxy-3-methyl-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 5-bromo-2-methoxy-3-methyl-N-(2-methylphenyl)benzamide?
The canonical SMILES for 5-bromo-2-methoxy-3-methyl-N-(2-methylphenyl)benzamide is COc1c(C)cc(Br)cc1C(=O)Nc1ccccc1C.
What is the InChIKey of 5-bromo-2-methoxy-3-methyl-N-(2-methylphenyl)benzamide?
The InChIKey is PEGYXNAWMNJLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-10-6-4-5-7-14(10)18-16(19)13-9-12(17)8-11(2)15(13)20-3/h4-9H,1-3H3,(H,18,19).
What are the key properties of 5-bromo-2-methoxy-3-methyl-N-(2-methylphenyl)benzamide?
5-bromo-2-methoxy-3-methyl-N-(2-methylphenyl)benzamide has a molecular weight of 334.21 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-3-methyl-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 953794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).