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

C16H15BrClNO3 — CID 3379612

IUPAC5-bromo-N-(5-chloro-2-methoxyphenyl)-2-methoxy-3-methylbenzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(Br)cc(C)c1OC
InChIInChI=1S/C16H15BrClNO3/c1-9-6-10(17)7-12(15(9)22-3)16(20)19-13-8-11(18)4-5-14(13)21-2/h4-8H,1-3H3,(H,19,20)
InChIKeyNIKHRBVKFGQYFM-UHFFFAOYSA-N
MW384.66 g/mol
LogP4.68
Rot. Bonds4

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

5-bromo-N-(5-chloro-2-methoxyphenyl)-2-methoxy-3-methylbenzamide (PubChem CID 3379612) has the molecular formula C16H15BrClNO3 and a molecular weight of 384.66 g/mol. Its IUPAC name is 5-bromo-N-(5-chloro-2-methoxyphenyl)-2-methoxy-3-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(5-chloro-2-methoxyphenyl)-2-methoxy-3-methylbenzamide
PubChem CID3379612
Molecular FormulaC16H15BrClNO3
Molecular Weight384.66 g/mol
Exact Mass382.99
IUPAC Name5-bromo-N-(5-chloro-2-methoxyphenyl)-2-methoxy-3-methylbenzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(Br)cc(C)c1OC
InChIInChI=1S/C16H15BrClNO3/c1-9-6-10(17)7-12(15(9)22-3)16(20)19-13-8-11(18)4-5-14(13)21-2/h4-8H,1-3H3,(H,19,20)
InChIKeyNIKHRBVKFGQYFM-UHFFFAOYSA-N
XLogP4.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.66
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-methoxy-N-(2-methoxyphenyl)-3-methylbenzamide
CID 3550371
6-bromo-N-(5-chloro-2-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19646659
5-bromo-N-(3-chlorophenyl)-2-methoxy-3-methylbenzamide
CID 3353174
2-(4-bromo-2,6-dimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 19180419
4-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide
CID 26688337
2-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 17261439
4-chloro-N-(5-chloro-2-methoxyphenyl)-2-hydroxybenzamide
CID 29286691
3,5-dibromo-N-(2,4-dichlorophenyl)-2-methoxybenzamide
CID 17111223
5-bromo-N-(5-chloro-2-methoxyphenyl)-2-hydrazinylpyridine-3-carboxamide
CID 62237098
5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxy-3-methylbenzamide
CID 3528425
2-bromo-N-(5-chloro-2-methoxyphenyl)-4-fluorobenzamide
CID 9191956
4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]-3-methylbenzoic acid
CID 28674733

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-chloro-2-methoxyphenyl)-2-methoxy-3-methylbenzamide?
The IUPAC name of 5-bromo-N-(5-chloro-2-methoxyphenyl)-2-methoxy-3-methylbenzamide (CID 3379612) is 5-bromo-N-(5-chloro-2-methoxyphenyl)-2-methoxy-3-methylbenzamide.
What is the SMILES notation for 5-bromo-N-(5-chloro-2-methoxyphenyl)-2-methoxy-3-methylbenzamide?
The canonical SMILES for 5-bromo-N-(5-chloro-2-methoxyphenyl)-2-methoxy-3-methylbenzamide is COc1ccc(Cl)cc1NC(=O)c1cc(Br)cc(C)c1OC.
What is the InChIKey of 5-bromo-N-(5-chloro-2-methoxyphenyl)-2-methoxy-3-methylbenzamide?
The InChIKey is NIKHRBVKFGQYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO3/c1-9-6-10(17)7-12(15(9)22-3)16(20)19-13-8-11(18)4-5-14(13)21-2/h4-8H,1-3H3,(H,19,20).
What are the key properties of 5-bromo-N-(5-chloro-2-methoxyphenyl)-2-methoxy-3-methylbenzamide?
5-bromo-N-(5-chloro-2-methoxyphenyl)-2-methoxy-3-methylbenzamide has a molecular weight of 384.66 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-chloro-2-methoxyphenyl)-2-methoxy-3-methylbenzamide is sourced from PubChem (CID 3379612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).