3-bromo-N-(4-bromophenyl)-4-propoxybenzamide

C16H15Br2NO2 — CID 17342672

IUPAC3-bromo-N-(4-bromophenyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(Br)cc2)cc1Br
InChIInChI=1S/C16H15Br2NO2/c1-2-9-21-15-8-3-11(10-14(15)18)16(20)19-13-6-4-12(17)5-7-13/h3-8,10H,2,9H2,1H3,(H,19,20)
InChIKeyMBVWNQHZWGVLJK-UHFFFAOYSA-N
MW413.11 g/mol
LogP5.25
Rot. Bonds5

About 3-bromo-N-(4-bromophenyl)-4-propoxybenzamide

3-bromo-N-(4-bromophenyl)-4-propoxybenzamide (PubChem CID 17342672) has the molecular formula C16H15Br2NO2 and a molecular weight of 413.11 g/mol. Its IUPAC name is 3-bromo-N-(4-bromophenyl)-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(4-bromophenyl)-4-propoxybenzamide
PubChem CID17342672
Molecular FormulaC16H15Br2NO2
Molecular Weight413.11 g/mol
Exact Mass410.95
IUPAC Name3-bromo-N-(4-bromophenyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(Br)cc2)cc1Br
InChIInChI=1S/C16H15Br2NO2/c1-2-9-21-15-8-3-11(10-14(15)18)16(20)19-13-6-4-12(17)5-7-13/h3-8,10H,2,9H2,1H3,(H,19,20)
InChIKeyMBVWNQHZWGVLJK-UHFFFAOYSA-N
XLogP5.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.11
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetylphenyl)-3-bromo-4-propoxybenzamide
CID 17342671
3-bromo-N-(4-fluorophenyl)-4-propoxybenzamide
CID 17342674
3-bromo-4-ethoxy-N-(4-propoxyphenyl)benzamide
CID 17073835
3-bromo-N-(4-bromophenyl)-4-(3-methylbutoxy)benzamide
CID 17339332
3-bromo-N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 17342688
N-[4-(benzylcarbamoyl)phenyl]-3-bromo-4-propoxybenzamide
CID 28639983
3-bromo-N-(4-heptoxyphenyl)-4-hexoxybenzamide
CID 4959571
3-bromo-4-propoxy-N-(3-propoxyphenyl)benzamide
CID 17096782
3-bromo-N-[(4-bromophenyl)carbamothioyl]-4-butoxybenzamide
CID 4955992
3-bromo-N-[4-(2-phenylethoxy)phenyl]-4-propoxybenzamide
CID 17067040
N-(4-anilinophenyl)-3-bromo-4-butoxybenzamide
CID 4955723
methyl 4-[(3-bromo-4-hexoxybenzoyl)amino]benzoate
CID 4959481

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-bromophenyl)-4-propoxybenzamide?
The IUPAC name of 3-bromo-N-(4-bromophenyl)-4-propoxybenzamide (CID 17342672) is 3-bromo-N-(4-bromophenyl)-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-N-(4-bromophenyl)-4-propoxybenzamide?
The canonical SMILES for 3-bromo-N-(4-bromophenyl)-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2ccc(Br)cc2)cc1Br.
What is the InChIKey of 3-bromo-N-(4-bromophenyl)-4-propoxybenzamide?
The InChIKey is MBVWNQHZWGVLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO2/c1-2-9-21-15-8-3-11(10-14(15)18)16(20)19-13-6-4-12(17)5-7-13/h3-8,10H,2,9H2,1H3,(H,19,20).
What are the key properties of 3-bromo-N-(4-bromophenyl)-4-propoxybenzamide?
3-bromo-N-(4-bromophenyl)-4-propoxybenzamide has a molecular weight of 413.11 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-bromophenyl)-4-propoxybenzamide is sourced from PubChem (CID 17342672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).