3-bromo-N-(3,4-dichlorophenyl)-4-(3-methylbutoxy)benzamide

C18H18BrCl2NO2 — CID 17339348

IUPAC3-bromo-N-(3,4-dichlorophenyl)-4-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Br
InChIInChI=1S/C18H18BrCl2NO2/c1-11(2)7-8-24-17-6-3-12(9-14(17)19)18(23)22-13-4-5-15(20)16(21)10-13/h3-6,9-11H,7-8H2,1-2H3,(H,22,23)
InChIKeyHTIGVNBBYKVBDK-UHFFFAOYSA-N
MW431.16 g/mol
LogP6.43
Rot. Bonds6

About 3-bromo-N-(3,4-dichlorophenyl)-4-(3-methylbutoxy)benzamide

3-bromo-N-(3,4-dichlorophenyl)-4-(3-methylbutoxy)benzamide (PubChem CID 17339348) has the molecular formula C18H18BrCl2NO2 and a molecular weight of 431.16 g/mol. Its IUPAC name is 3-bromo-N-(3,4-dichlorophenyl)-4-(3-methylbutoxy)benzamide.

Molecular Properties

Compound Name3-bromo-N-(3,4-dichlorophenyl)-4-(3-methylbutoxy)benzamide
PubChem CID17339348
Molecular FormulaC18H18BrCl2NO2
Molecular Weight431.16 g/mol
Exact Mass428.99
IUPAC Name3-bromo-N-(3,4-dichlorophenyl)-4-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Br
InChIInChI=1S/C18H18BrCl2NO2/c1-11(2)7-8-24-17-6-3-12(9-14(17)19)18(23)22-13-4-5-15(20)16(21)10-13/h3-6,9-11H,7-8H2,1-2H3,(H,22,23)
InChIKeyHTIGVNBBYKVBDK-UHFFFAOYSA-N
XLogP6.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.16
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(4-bromophenyl)-4-(3-methylbutoxy)benzamide
CID 17339332
3-bromo-N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 17342688
3-bromo-4-(3-methylbutoxy)-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 17339461
3-bromo-4-(3-methylbutoxy)-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17097335
N-(3-acetamido-4-methylphenyl)-3-bromo-4-(3-methylbutoxy)benzamide
CID 54777517
3-bromo-4-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide
CID 17339336
3-bromo-N-(3-methoxyphenyl)-4-(3-methylbutoxy)benzamide
CID 17339373
3-bromo-N-[4-(3-methylbutoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17067243
N-[3-[acetyl(methyl)amino]phenyl]-3-bromo-4-(3-methylbutoxy)benzamide
CID 46761930
3-bromo-4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 17194786
3-bromo-4-butoxy-N-(3-chloro-4-fluorophenyl)benzamide
CID 4955807
3-bromo-4-(2-methoxyethoxy)-N-[4-(2-methylpropoxy)phenyl]benzamide
CID 17356436

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3,4-dichlorophenyl)-4-(3-methylbutoxy)benzamide?
The IUPAC name of 3-bromo-N-(3,4-dichlorophenyl)-4-(3-methylbutoxy)benzamide (CID 17339348) is 3-bromo-N-(3,4-dichlorophenyl)-4-(3-methylbutoxy)benzamide.
What is the SMILES notation for 3-bromo-N-(3,4-dichlorophenyl)-4-(3-methylbutoxy)benzamide?
The canonical SMILES for 3-bromo-N-(3,4-dichlorophenyl)-4-(3-methylbutoxy)benzamide is CC(C)CCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Br.
What is the InChIKey of 3-bromo-N-(3,4-dichlorophenyl)-4-(3-methylbutoxy)benzamide?
The InChIKey is HTIGVNBBYKVBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrCl2NO2/c1-11(2)7-8-24-17-6-3-12(9-14(17)19)18(23)22-13-4-5-15(20)16(21)10-13/h3-6,9-11H,7-8H2,1-2H3,(H,22,23).
What are the key properties of 3-bromo-N-(3,4-dichlorophenyl)-4-(3-methylbutoxy)benzamide?
3-bromo-N-(3,4-dichlorophenyl)-4-(3-methylbutoxy)benzamide has a molecular weight of 431.16 g/mol, XLogP of 6.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3,4-dichlorophenyl)-4-(3-methylbutoxy)benzamide is sourced from PubChem (CID 17339348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).