4-bromo-N-(4-bromopentyl)-3-chlorobenzamide

C12H14Br2ClNO — CID 106130615

IUPAC4-bromo-N-(4-bromopentyl)-3-chlorobenzamide
SMILESCC(Br)CCCNC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H14Br2ClNO/c1-8(13)3-2-6-16-12(17)9-4-5-10(14)11(15)7-9/h4-5,7-8H,2-3,6H2,1H3,(H,16,17)
InChIKeyBZZCESFVACJOKC-UHFFFAOYSA-N
MW383.51 g/mol
LogP4.40
Rot. Bonds5

About 4-bromo-N-(4-bromopentyl)-3-chlorobenzamide

4-bromo-N-(4-bromopentyl)-3-chlorobenzamide (PubChem CID 106130615) has the molecular formula C12H14Br2ClNO and a molecular weight of 383.51 g/mol. Its IUPAC name is 4-bromo-N-(4-bromopentyl)-3-chlorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(4-bromopentyl)-3-chlorobenzamide
PubChem CID106130615
Molecular FormulaC12H14Br2ClNO
Molecular Weight383.51 g/mol
Exact Mass380.91
IUPAC Name4-bromo-N-(4-bromopentyl)-3-chlorobenzamide
SMILESCC(Br)CCCNC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H14Br2ClNO/c1-8(13)3-2-6-16-12(17)9-4-5-10(14)11(15)7-9/h4-5,7-8H,2-3,6H2,1H3,(H,16,17)
InChIKeyBZZCESFVACJOKC-UHFFFAOYSA-N
XLogP4.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminobutyl)-4-bromo-3-chlorobenzamide
CID 81295761
N-(4-aminobutyl)-4-bromo-3-chlorobenzamide
CID 81290247
4-bromo-3-chloro-N-(3-methylsulfonylpropyl)benzamide
CID 80972971
4-[(4-bromo-3-chlorobenzoyl)amino]-2-hydroxybutanoic acid
CID 107832355
4-bromo-3-chloro-N-(3-chloro-2-methylpropyl)benzamide
CID 114302596
4-bromo-3-chloro-N-(2-methylbutyl)benzamide
CID 81308083
N-(4-bromopentyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 106130885
4-bromo-3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 80965947
N-(4-bromopentyl)-2-oxo-1H-pyridine-4-carboxamide
CID 106130813
N-(4-bromopentyl)-1,3-benzodioxole-5-carboxamide
CID 114147566
4-bromo-3-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide
CID 80974274
N-(4-bromopentyl)-4-chloro-2-methylbenzamide
CID 106131582

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-bromopentyl)-3-chlorobenzamide?
The IUPAC name of 4-bromo-N-(4-bromopentyl)-3-chlorobenzamide (CID 106130615) is 4-bromo-N-(4-bromopentyl)-3-chlorobenzamide.
What is the SMILES notation for 4-bromo-N-(4-bromopentyl)-3-chlorobenzamide?
The canonical SMILES for 4-bromo-N-(4-bromopentyl)-3-chlorobenzamide is CC(Br)CCCNC(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-N-(4-bromopentyl)-3-chlorobenzamide?
The InChIKey is BZZCESFVACJOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2ClNO/c1-8(13)3-2-6-16-12(17)9-4-5-10(14)11(15)7-9/h4-5,7-8H,2-3,6H2,1H3,(H,16,17).
What are the key properties of 4-bromo-N-(4-bromopentyl)-3-chlorobenzamide?
4-bromo-N-(4-bromopentyl)-3-chlorobenzamide has a molecular weight of 383.51 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-bromopentyl)-3-chlorobenzamide is sourced from PubChem (CID 106130615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).