2,5-dibromo-N-[[3-(methoxymethyl)phenyl]methyl]benzamide

C16H15Br2NO2 — CID 114371778

IUPAC2,5-dibromo-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
SMILESCOCc1cccc(CNC(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C16H15Br2NO2/c1-21-10-12-4-2-3-11(7-12)9-19-16(20)14-8-13(17)5-6-15(14)18/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyFCOWNQRTGZQLCQ-UHFFFAOYSA-N
MW413.11 g/mol
LogP4.29
Rot. Bonds5

About 2,5-dibromo-N-[[3-(methoxymethyl)phenyl]methyl]benzamide

2,5-dibromo-N-[[3-(methoxymethyl)phenyl]methyl]benzamide (PubChem CID 114371778) has the molecular formula C16H15Br2NO2 and a molecular weight of 413.11 g/mol. Its IUPAC name is 2,5-dibromo-N-[[3-(methoxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
PubChem CID114371778
Molecular FormulaC16H15Br2NO2
Molecular Weight413.11 g/mol
Exact Mass410.95
IUPAC Name2,5-dibromo-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
SMILESCOCc1cccc(CNC(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C16H15Br2NO2/c1-21-10-12-4-2-3-11(7-12)9-19-16(20)14-8-13(17)5-6-15(14)18/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyFCOWNQRTGZQLCQ-UHFFFAOYSA-N
XLogP4.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.11
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-5-methylbenzamide
CID 80973519
2-bromo-5-(cyclopropylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 55724612
2-bromo-N-[(3-bromophenyl)methyl]-5-methylbenzamide
CID 80980229
N-[[3-(methoxymethyl)phenyl]methyl]-2-(methylamino)benzamide
CID 61376120
2,4-dibromo-N-[(3-methoxyphenyl)methyl]benzamide
CID 103882071
2-(methoxymethyl)-N-[[3-[[[2-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 121289726
2-bromo-5-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 80979004
2,4-dibromo-N-[(3-bromophenyl)methyl]benzamide
CID 107939159
2-bromo-N-[[3-(chloromethyl)phenyl]methyl]-5-methylbenzamide
CID 114302504
5-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-carboxamide
CID 79929368
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 103752430
5-amino-2-fluoro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 61138112

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[[3-(methoxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 2,5-dibromo-N-[[3-(methoxymethyl)phenyl]methyl]benzamide (CID 114371778) is 2,5-dibromo-N-[[3-(methoxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2,5-dibromo-N-[[3-(methoxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2,5-dibromo-N-[[3-(methoxymethyl)phenyl]methyl]benzamide is COCc1cccc(CNC(=O)c2cc(Br)ccc2Br)c1.
What is the InChIKey of 2,5-dibromo-N-[[3-(methoxymethyl)phenyl]methyl]benzamide?
The InChIKey is FCOWNQRTGZQLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO2/c1-21-10-12-4-2-3-11(7-12)9-19-16(20)14-8-13(17)5-6-15(14)18/h2-8H,9-10H2,1H3,(H,19,20).
What are the key properties of 2,5-dibromo-N-[[3-(methoxymethyl)phenyl]methyl]benzamide?
2,5-dibromo-N-[[3-(methoxymethyl)phenyl]methyl]benzamide has a molecular weight of 413.11 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[[3-(methoxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 114371778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).