3,5-dibromo-N-[2-(3-methoxyphenyl)ethyl]benzamide

C16H15Br2NO2 — CID 107980616

IUPAC3,5-dibromo-N-[2-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc(CCNC(=O)c2cc(Br)cc(Br)c2)c1
InChIInChI=1S/C16H15Br2NO2/c1-21-15-4-2-3-11(7-15)5-6-19-16(20)12-8-13(17)10-14(18)9-12/h2-4,7-10H,5-6H2,1H3,(H,19,20)
InChIKeyWDYPBQQPYGGQLM-UHFFFAOYSA-N
MW413.11 g/mol
LogP4.19
Rot. Bonds5

About 3,5-dibromo-N-[2-(3-methoxyphenyl)ethyl]benzamide

3,5-dibromo-N-[2-(3-methoxyphenyl)ethyl]benzamide (PubChem CID 107980616) has the molecular formula C16H15Br2NO2 and a molecular weight of 413.11 g/mol. Its IUPAC name is 3,5-dibromo-N-[2-(3-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[2-(3-methoxyphenyl)ethyl]benzamide
PubChem CID107980616
Molecular FormulaC16H15Br2NO2
Molecular Weight413.11 g/mol
Exact Mass410.95
IUPAC Name3,5-dibromo-N-[2-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc(CCNC(=O)c2cc(Br)cc(Br)c2)c1
InChIInChI=1S/C16H15Br2NO2/c1-21-15-4-2-3-11(7-15)5-6-19-16(20)12-8-13(17)10-14(18)9-12/h2-4,7-10H,5-6H2,1H3,(H,19,20)
InChIKeyWDYPBQQPYGGQLM-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 47041883
3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109052520
4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 103794996
4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 113098173
3,5-dibromo-N-(2-phenylethyl)benzamide
CID 107980021
N-[2-(3-methoxyphenyl)ethyl]furan-3-carboxamide
CID 47041893
1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048051
1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109055482
3-bromo-N-[2-(4-methoxyphenyl)ethyl]-5-methylbenzamide
CID 104851757
N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 155530519
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
2-bromo-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 107906044

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[2-(3-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 3,5-dibromo-N-[2-(3-methoxyphenyl)ethyl]benzamide (CID 107980616) is 3,5-dibromo-N-[2-(3-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3,5-dibromo-N-[2-(3-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3,5-dibromo-N-[2-(3-methoxyphenyl)ethyl]benzamide is COc1cccc(CCNC(=O)c2cc(Br)cc(Br)c2)c1.
What is the InChIKey of 3,5-dibromo-N-[2-(3-methoxyphenyl)ethyl]benzamide?
The InChIKey is WDYPBQQPYGGQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO2/c1-21-15-4-2-3-11(7-15)5-6-19-16(20)12-8-13(17)10-14(18)9-12/h2-4,7-10H,5-6H2,1H3,(H,19,20).
What are the key properties of 3,5-dibromo-N-[2-(3-methoxyphenyl)ethyl]benzamide?
3,5-dibromo-N-[2-(3-methoxyphenyl)ethyl]benzamide has a molecular weight of 413.11 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[2-(3-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 107980616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).