5-bromo-2-methoxy-N-(2-methoxyphenyl)-3-methylbenzamide

C16H16BrNO3 — CID 3550371

IUPAC5-bromo-2-methoxy-N-(2-methoxyphenyl)-3-methylbenzamide
SMILESCOc1ccccc1NC(=O)c1cc(Br)cc(C)c1OC
InChIInChI=1S/C16H16BrNO3/c1-10-8-11(17)9-12(15(10)21-3)16(19)18-13-6-4-5-7-14(13)20-2/h4-9H,1-3H3,(H,18,19)
InChIKeyBDKAFFIYHKNGLT-UHFFFAOYSA-N
MW350.21 g/mol
LogP4.03
Rot. Bonds4

About 5-bromo-2-methoxy-N-(2-methoxyphenyl)-3-methylbenzamide

5-bromo-2-methoxy-N-(2-methoxyphenyl)-3-methylbenzamide (PubChem CID 3550371) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-(2-methoxyphenyl)-3-methylbenzamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-(2-methoxyphenyl)-3-methylbenzamide
PubChem CID3550371
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC Name5-bromo-2-methoxy-N-(2-methoxyphenyl)-3-methylbenzamide
SMILESCOc1ccccc1NC(=O)c1cc(Br)cc(C)c1OC
InChIInChI=1S/C16H16BrNO3/c1-10-8-11(17)9-12(15(10)21-3)16(19)18-13-6-4-5-7-14(13)20-2/h4-9H,1-3H3,(H,18,19)
InChIKeyBDKAFFIYHKNGLT-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

3,5-dibromo-2-methoxy-N-(2-methoxyphenyl)benzamide
CID 3948715
5-bromo-N-(5-chloro-2-methoxyphenyl)-2-methoxy-3-methylbenzamide
CID 3379612
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)-5-bromo-2-methoxy-3-methylbenzamide
CID 3433416
4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]-3-methylbenzoic acid
CID 28674733
N-(4-acetamidophenyl)-5-bromo-2-methoxy-3-methylbenzamide
CID 5153550
2-bromo-N-(2-methoxyphenyl)benzamide
CID 676344
methyl 2-[(5-bromo-2-methoxy-3-methylbenzoyl)carbamothioylamino]benzoate
CID 22780655
5-bromo-N-(3-chlorophenyl)-2-methoxy-3-methylbenzamide
CID 3353174
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-5-bromo-2-methoxy-3-methylbenzamide
CID 3532031
5-bromo-2-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 62001368

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-(2-methoxyphenyl)-3-methylbenzamide?
The IUPAC name of 5-bromo-2-methoxy-N-(2-methoxyphenyl)-3-methylbenzamide (CID 3550371) is 5-bromo-2-methoxy-N-(2-methoxyphenyl)-3-methylbenzamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-(2-methoxyphenyl)-3-methylbenzamide?
The canonical SMILES for 5-bromo-2-methoxy-N-(2-methoxyphenyl)-3-methylbenzamide is COc1ccccc1NC(=O)c1cc(Br)cc(C)c1OC.
What is the InChIKey of 5-bromo-2-methoxy-N-(2-methoxyphenyl)-3-methylbenzamide?
The InChIKey is BDKAFFIYHKNGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-10-8-11(17)9-12(15(10)21-3)16(19)18-13-6-4-5-7-14(13)20-2/h4-9H,1-3H3,(H,18,19).
What are the key properties of 5-bromo-2-methoxy-N-(2-methoxyphenyl)-3-methylbenzamide?
5-bromo-2-methoxy-N-(2-methoxyphenyl)-3-methylbenzamide 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 5-bromo-2-methoxy-N-(2-methoxyphenyl)-3-methylbenzamide is sourced from PubChem (CID 3550371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).