3-bromo-4-chloro-N-(4-methoxybutyl)benzamide

C12H15BrClNO2 — CID 110610259

IUPAC3-bromo-4-chloro-N-(4-methoxybutyl)benzamide
SMILESCOCCCCNC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H15BrClNO2/c1-17-7-3-2-6-15-12(16)9-4-5-11(14)10(13)8-9/h4-5,8H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyCFQQJMIPRGNTBP-UHFFFAOYSA-N
MW320.61 g/mol
LogP3.26
Rot. Bonds6

About 3-bromo-4-chloro-N-(4-methoxybutyl)benzamide

3-bromo-4-chloro-N-(4-methoxybutyl)benzamide (PubChem CID 110610259) has the molecular formula C12H15BrClNO2 and a molecular weight of 320.61 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(4-methoxybutyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(4-methoxybutyl)benzamide
PubChem CID110610259
Molecular FormulaC12H15BrClNO2
Molecular Weight320.61 g/mol
Exact Mass319.00
IUPAC Name3-bromo-4-chloro-N-(4-methoxybutyl)benzamide
SMILESCOCCCCNC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H15BrClNO2/c1-17-7-3-2-6-15-12(16)9-4-5-11(14)10(13)8-9/h4-5,8H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyCFQQJMIPRGNTBP-UHFFFAOYSA-N
XLogP3.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.61
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-[(3-bromo-4-chlorobenzoyl)amino]hexanoate
CID 103841612
5-[(3-bromo-4-chlorobenzoyl)amino]pentanoic acid
CID 107997905
3-bromo-4-chloro-N-(5-iodopentyl)benzamide
CID 107994465
3-bromo-4-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]benzamide
CID 103841799
3-bromo-4-chloro-N-(3-methylsulfinylpropyl)benzamide
CID 103842015
4-bromo-3-fluoro-N-(5-methoxypentyl)benzamide
CID 113228456
4-amino-3-bromo-N-(3-methoxypropyl)benzamide
CID 54850356
3-bromo-4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 103841802
N-(5-amino-5-sulfanylidenepentyl)-3-bromo-4-chlorobenzamide
CID 114025855
3,5-dibromo-N-(4-methoxybutyl)benzamide
CID 103907947
3-chloro-4-fluoro-N-(3-methoxypropyl)benzamide
CID 110764723
2-bromo-4-chloro-N-(4-methoxybutyl)benzamide
CID 103763962

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(4-methoxybutyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(4-methoxybutyl)benzamide (CID 110610259) is 3-bromo-4-chloro-N-(4-methoxybutyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(4-methoxybutyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(4-methoxybutyl)benzamide is COCCCCNC(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(4-methoxybutyl)benzamide?
The InChIKey is CFQQJMIPRGNTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO2/c1-17-7-3-2-6-15-12(16)9-4-5-11(14)10(13)8-9/h4-5,8H,2-3,6-7H2,1H3,(H,15,16).
What are the key properties of 3-bromo-4-chloro-N-(4-methoxybutyl)benzamide?
3-bromo-4-chloro-N-(4-methoxybutyl)benzamide has a molecular weight of 320.61 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(4-methoxybutyl)benzamide is sourced from PubChem (CID 110610259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).