2,5-dibromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide

C16H15Br2NO2 — CID 114371373

IUPAC2,5-dibromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1cccc(CN(C)C(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C16H15Br2NO2/c1-19(10-11-4-3-5-13(8-11)21-2)16(20)14-9-12(17)6-7-15(14)18/h3-9H,10H2,1-2H3
InChIKeyUORSJQZKRLQGII-UHFFFAOYSA-N
MW413.11 g/mol
LogP4.49
Rot. Bonds4

About 2,5-dibromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide

2,5-dibromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide (PubChem CID 114371373) has the molecular formula C16H15Br2NO2 and a molecular weight of 413.11 g/mol. Its IUPAC name is 2,5-dibromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name2,5-dibromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
PubChem CID114371373
Molecular FormulaC16H15Br2NO2
Molecular Weight413.11 g/mol
Exact Mass410.95
IUPAC Name2,5-dibromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1cccc(CN(C)C(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C16H15Br2NO2/c1-19(10-11-4-3-5-13(8-11)21-2)16(20)14-9-12(17)6-7-15(14)18/h3-9H,10H2,1-2H3
InChIKeyUORSJQZKRLQGII-UHFFFAOYSA-N
XLogP4.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.11
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 60667390
2,5-dibromo-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 114370543
3-bromo-2-chloro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 103975419
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
2-bromo-N-[(3-bromophenyl)methyl]-5-fluoro-N-methylbenzamide
CID 60736552
2,5-dihydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 107722488
2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxy-N-methylbenzamide
CID 39952387
4-bromo-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide
CID 60954823
5-amino-N-[(3-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 61418056
2,5-dichloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 114917457
5-bromo-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide
CID 65309798
3-amino-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 54980615

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 2,5-dibromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide (CID 114371373) is 2,5-dibromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 2,5-dibromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 2,5-dibromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide is COc1cccc(CN(C)C(=O)c2cc(Br)ccc2Br)c1.
What is the InChIKey of 2,5-dibromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is UORSJQZKRLQGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO2/c1-19(10-11-4-3-5-13(8-11)21-2)16(20)14-9-12(17)6-7-15(14)18/h3-9H,10H2,1-2H3.
What are the key properties of 2,5-dibromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide?
2,5-dibromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 413.11 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 114371373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).