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

C16H16BrNO3 — CID 78987785

IUPAC4-bromo-2-methoxy-N-(2-methoxy-4-methylphenyl)benzamide
SMILESCOc1cc(C)ccc1NC(=O)c1ccc(Br)cc1OC
InChIInChI=1S/C16H16BrNO3/c1-10-4-7-13(15(8-10)21-3)18-16(19)12-6-5-11(17)9-14(12)20-2/h4-9H,1-3H3,(H,18,19)
InChIKeyPDRAYWPMPKXBTE-UHFFFAOYSA-N
MW350.21 g/mol
LogP4.03
Rot. Bonds4

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

4-bromo-2-methoxy-N-(2-methoxy-4-methylphenyl)benzamide (PubChem CID 78987785) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is 4-bromo-2-methoxy-N-(2-methoxy-4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-methoxy-N-(2-methoxy-4-methylphenyl)benzamide
PubChem CID78987785
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC Name4-bromo-2-methoxy-N-(2-methoxy-4-methylphenyl)benzamide
SMILESCOc1cc(C)ccc1NC(=O)c1ccc(Br)cc1OC
InChIInChI=1S/C16H16BrNO3/c1-10-4-7-13(15(8-10)21-3)18-16(19)12-6-5-11(17)9-14(12)20-2/h4-9H,1-3H3,(H,18,19)
InChIKeyPDRAYWPMPKXBTE-UHFFFAOYSA-N
XLogP4.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(5-bromo-2-methoxyphenyl)-2-methoxybenzamide
CID 78987917
N-(2-amino-4-bromophenyl)-4-bromo-2-methoxybenzamide
CID 115368533
4-bromo-N-(4-chloro-2-methylphenyl)-2-methoxybenzamide
CID 78987495
2,4-dibromo-N-(2-methoxy-5-methylphenyl)benzamide
CID 103882118
4-bromo-N-(5-bromo-2-chlorophenyl)-2-methoxybenzamide
CID 78920099
N-(4-bromo-2-chlorophenyl)-2-methoxy-5-methylbenzamide
CID 34054741
4-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide
CID 78987526
2-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzamide
CID 103853431
4-bromo-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 78988670
4-bromo-N-(2-chloro-4-iodophenyl)-2-methoxybenzamide
CID 78987641
2-bromo-N-(5-bromo-2-methoxyphenyl)-5-methylbenzamide
CID 80974126
4-bromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 78987594

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-N-(2-methoxy-4-methylphenyl)benzamide?
The IUPAC name of 4-bromo-2-methoxy-N-(2-methoxy-4-methylphenyl)benzamide (CID 78987785) is 4-bromo-2-methoxy-N-(2-methoxy-4-methylphenyl)benzamide.
What is the SMILES notation for 4-bromo-2-methoxy-N-(2-methoxy-4-methylphenyl)benzamide?
The canonical SMILES for 4-bromo-2-methoxy-N-(2-methoxy-4-methylphenyl)benzamide is COc1cc(C)ccc1NC(=O)c1ccc(Br)cc1OC.
What is the InChIKey of 4-bromo-2-methoxy-N-(2-methoxy-4-methylphenyl)benzamide?
The InChIKey is PDRAYWPMPKXBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-10-4-7-13(15(8-10)21-3)18-16(19)12-6-5-11(17)9-14(12)20-2/h4-9H,1-3H3,(H,18,19).
What are the key properties of 4-bromo-2-methoxy-N-(2-methoxy-4-methylphenyl)benzamide?
4-bromo-2-methoxy-N-(2-methoxy-4-methylphenyl)benzamide has a molecular weight of 350.21 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-N-(2-methoxy-4-methylphenyl)benzamide is sourced from PubChem (CID 78987785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).