3-bromo-N-(4-bromophenyl)-4-(3-methylbutoxy)benzamide

C18H19Br2NO2 — CID 17339332

IUPAC3-bromo-N-(4-bromophenyl)-4-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1ccc(C(=O)Nc2ccc(Br)cc2)cc1Br
InChIInChI=1S/C18H19Br2NO2/c1-12(2)9-10-23-17-8-3-13(11-16(17)20)18(22)21-15-6-4-14(19)5-7-15/h3-8,11-12H,9-10H2,1-2H3,(H,21,22)
InChIKeyRMPHABBDNXFCIK-UHFFFAOYSA-N
MW441.16 g/mol
LogP5.89
Rot. Bonds6

About 3-bromo-N-(4-bromophenyl)-4-(3-methylbutoxy)benzamide

3-bromo-N-(4-bromophenyl)-4-(3-methylbutoxy)benzamide (PubChem CID 17339332) has the molecular formula C18H19Br2NO2 and a molecular weight of 441.16 g/mol. Its IUPAC name is 3-bromo-N-(4-bromophenyl)-4-(3-methylbutoxy)benzamide.

Molecular Properties

Compound Name3-bromo-N-(4-bromophenyl)-4-(3-methylbutoxy)benzamide
PubChem CID17339332
Molecular FormulaC18H19Br2NO2
Molecular Weight441.16 g/mol
Exact Mass438.98
IUPAC Name3-bromo-N-(4-bromophenyl)-4-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1ccc(C(=O)Nc2ccc(Br)cc2)cc1Br
InChIInChI=1S/C18H19Br2NO2/c1-12(2)9-10-23-17-8-3-13(11-16(17)20)18(22)21-15-6-4-14(19)5-7-15/h3-8,11-12H,9-10H2,1-2H3,(H,21,22)
InChIKeyRMPHABBDNXFCIK-UHFFFAOYSA-N
XLogP5.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.16
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-(3-methylbutoxy)-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 17339461
3-bromo-N-(3,4-dichlorophenyl)-4-(3-methylbutoxy)benzamide
CID 17339348
3-bromo-4-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide
CID 17339336
3-bromo-N-(4-bromophenyl)-4-propoxybenzamide
CID 17342672
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-N-[4-(3-methylbutoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17067243
3-bromo-4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 17194786
3-bromo-N-(3-methoxyphenyl)-4-(3-methylbutoxy)benzamide
CID 17339373
N-(4-acetylphenyl)-5-bromo-2-(3-methylbutoxy)benzamide
CID 17350697
3-bromo-4-(2-methoxyethoxy)-N-[4-(2-methylpropoxy)phenyl]benzamide
CID 17356436
5-bromo-N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-2-(3-methylbutoxy)benzamide
CID 17235080

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-bromophenyl)-4-(3-methylbutoxy)benzamide?
The IUPAC name of 3-bromo-N-(4-bromophenyl)-4-(3-methylbutoxy)benzamide (CID 17339332) is 3-bromo-N-(4-bromophenyl)-4-(3-methylbutoxy)benzamide.
What is the SMILES notation for 3-bromo-N-(4-bromophenyl)-4-(3-methylbutoxy)benzamide?
The canonical SMILES for 3-bromo-N-(4-bromophenyl)-4-(3-methylbutoxy)benzamide is CC(C)CCOc1ccc(C(=O)Nc2ccc(Br)cc2)cc1Br.
What is the InChIKey of 3-bromo-N-(4-bromophenyl)-4-(3-methylbutoxy)benzamide?
The InChIKey is RMPHABBDNXFCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Br2NO2/c1-12(2)9-10-23-17-8-3-13(11-16(17)20)18(22)21-15-6-4-14(19)5-7-15/h3-8,11-12H,9-10H2,1-2H3,(H,21,22).
What are the key properties of 3-bromo-N-(4-bromophenyl)-4-(3-methylbutoxy)benzamide?
3-bromo-N-(4-bromophenyl)-4-(3-methylbutoxy)benzamide has a molecular weight of 441.16 g/mol, XLogP of 5.89, 6 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-(3-methylbutoxy)benzamide is sourced from PubChem (CID 17339332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).