3-bromo-4-methoxy-N-(2-methylphenyl)benzamide

C15H14BrNO2 — CID 798203

IUPAC3-bromo-4-methoxy-N-(2-methylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C)cc1Br
InChIInChI=1S/C15H14BrNO2/c1-10-5-3-4-6-13(10)17-15(18)11-7-8-14(19-2)12(16)9-11/h3-9H,1-2H3,(H,17,18)
InChIKeyBRDOCKBGIQYFLC-UHFFFAOYSA-N
MW320.19 g/mol
LogP4.02
Rot. Bonds3

About 3-bromo-4-methoxy-N-(2-methylphenyl)benzamide

3-bromo-4-methoxy-N-(2-methylphenyl)benzamide (PubChem CID 798203) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-(2-methylphenyl)benzamide
PubChem CID798203
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name3-bromo-4-methoxy-N-(2-methylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C)cc1Br
InChIInChI=1S/C15H14BrNO2/c1-10-5-3-4-6-13(10)17-15(18)11-7-8-14(19-2)12(16)9-11/h3-9H,1-2H3,(H,17,18)
InChIKeyBRDOCKBGIQYFLC-UHFFFAOYSA-N
XLogP4.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(3-bromo-4-methoxybenzoyl)amino]benzoate
CID 1226570
2-[(3-bromo-4-methoxybenzoyl)amino]benzoic acid
CID 43241988
3-bromo-N-[3-[(3-bromo-4-methoxybenzoyl)amino]-4-methylphenyl]-4-methoxybenzamide
CID 4941361
3-bromo-4-methoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150898
N-[2-(2-amino-2-oxoethyl)phenyl]-3-bromo-4-methoxybenzamide
CID 47037283
1-N-(3,4-dimethoxyphenyl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049317
4-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049315
3-bromo-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 41369739
3-bromo-4-methoxy-N-[(2-methoxyphenyl)carbamothioyl]benzamide
CID 1139228
3,4-dimethoxy-N-[(2-methylphenyl)carbamothioyl]benzamide
CID 881520
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-methylphenyl)benzamide
CID 8872324
3-bromo-N-(4-bromo-2-iodophenyl)-4-methoxybenzamide
CID 3325521

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-(2-methylphenyl)benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-(2-methylphenyl)benzamide (CID 798203) is 3-bromo-4-methoxy-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-(2-methylphenyl)benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-(2-methylphenyl)benzamide is COc1ccc(C(=O)Nc2ccccc2C)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-(2-methylphenyl)benzamide?
The InChIKey is BRDOCKBGIQYFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-10-5-3-4-6-13(10)17-15(18)11-7-8-14(19-2)12(16)9-11/h3-9H,1-2H3,(H,17,18).
What are the key properties of 3-bromo-4-methoxy-N-(2-methylphenyl)benzamide?
3-bromo-4-methoxy-N-(2-methylphenyl)benzamide has a molecular weight of 320.19 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 798203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).