3-bromo-N-[1-(4-bromophenyl)ethyl]-4-methoxybenzamide

C16H15Br2NO2 — CID 60661014

IUPAC3-bromo-N-[1-(4-bromophenyl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(Br)cc2)cc1Br
InChIInChI=1S/C16H15Br2NO2/c1-10(11-3-6-13(17)7-4-11)19-16(20)12-5-8-15(21-2)14(18)9-12/h3-10H,1-2H3,(H,19,20)
InChIKeySTOONVNWQGOLMD-UHFFFAOYSA-N
MW413.11 g/mol
LogP4.71
Rot. Bonds4

About 3-bromo-N-[1-(4-bromophenyl)ethyl]-4-methoxybenzamide

3-bromo-N-[1-(4-bromophenyl)ethyl]-4-methoxybenzamide (PubChem CID 60661014) has the molecular formula C16H15Br2NO2 and a molecular weight of 413.11 g/mol. Its IUPAC name is 3-bromo-N-[1-(4-bromophenyl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-[1-(4-bromophenyl)ethyl]-4-methoxybenzamide
PubChem CID60661014
Molecular FormulaC16H15Br2NO2
Molecular Weight413.11 g/mol
Exact Mass410.95
IUPAC Name3-bromo-N-[1-(4-bromophenyl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(Br)cc2)cc1Br
InChIInChI=1S/C16H15Br2NO2/c1-10(11-3-6-13(17)7-4-11)19-16(20)12-5-8-15(21-2)14(18)9-12/h3-10H,1-2H3,(H,19,20)
InChIKeySTOONVNWQGOLMD-UHFFFAOYSA-N
XLogP4.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.11
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60739360
N-[1-(4-bromophenyl)ethyl]-3,4-dimethoxybenzamide
CID 43874047
3-bromo-N-[1-(3-bromophenyl)ethyl]-4-methoxybenzamide
CID 46585346
N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 8962855
3-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-methoxybenzamide
CID 46475324
3-bromo-N-but-3-yn-2-yl-4-methoxybenzamide
CID 114389789
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328593
methyl (2S)-2-[(3-bromo-4-methoxybenzoyl)amino]propanoate
CID 47337375
5-bromo-N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 8962937
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103763516
N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzamide
CID 60666490
(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-bromophenyl)ethanamine
CID 81355700

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(4-bromophenyl)ethyl]-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-[1-(4-bromophenyl)ethyl]-4-methoxybenzamide (CID 60661014) is 3-bromo-N-[1-(4-bromophenyl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-[1-(4-bromophenyl)ethyl]-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-[1-(4-bromophenyl)ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NC(C)c2ccc(Br)cc2)cc1Br.
What is the InChIKey of 3-bromo-N-[1-(4-bromophenyl)ethyl]-4-methoxybenzamide?
The InChIKey is STOONVNWQGOLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO2/c1-10(11-3-6-13(17)7-4-11)19-16(20)12-5-8-15(21-2)14(18)9-12/h3-10H,1-2H3,(H,19,20).
What are the key properties of 3-bromo-N-[1-(4-bromophenyl)ethyl]-4-methoxybenzamide?
3-bromo-N-[1-(4-bromophenyl)ethyl]-4-methoxybenzamide has a molecular weight of 413.11 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(4-bromophenyl)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 60661014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).