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

C12H15BrClNO2 — CID 103763962

IUPAC2-bromo-4-chloro-N-(4-methoxybutyl)benzamide
SMILESCOCCCCNC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C12H15BrClNO2/c1-17-7-3-2-6-15-12(16)10-5-4-9(14)8-11(10)13/h4-5,8H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyAGAHCQHAEYBTDA-UHFFFAOYSA-N
MW320.61 g/mol
LogP3.26
Rot. Bonds6

About 2-bromo-4-chloro-N-(4-methoxybutyl)benzamide

2-bromo-4-chloro-N-(4-methoxybutyl)benzamide (PubChem CID 103763962) has the molecular formula C12H15BrClNO2 and a molecular weight of 320.61 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(4-methoxybutyl)benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(4-methoxybutyl)benzamide
PubChem CID103763962
Molecular FormulaC12H15BrClNO2
Molecular Weight320.61 g/mol
Exact Mass319.00
IUPAC Name2-bromo-4-chloro-N-(4-methoxybutyl)benzamide
SMILESCOCCCCNC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C12H15BrClNO2/c1-17-7-3-2-6-15-12(16)10-5-4-9(14)8-11(10)13/h4-5,8H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyAGAHCQHAEYBTDA-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 5-[(2-bromo-4-chlorobenzoyl)amino]pentanoate
CID 91659527
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CID 107342949
2-bromo-4-chloro-N-(3-ethenoxypropyl)benzamide
CID 107988215
2-bromo-4-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
CID 103764472
2-bromo-N-(3-bromo-4-methoxybutyl)-4-chlorobenzamide
CID 106245083
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CID 43090061
2-bromo-4-chloro-N-(5,5,5-trifluoropentyl)benzamide
CID 103839346
2-bromo-4-chloro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862023
2-bromo-4-chloro-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 107990240
2-bromo-4-chloro-N-(3-cyclohexyloxypropyl)benzamide
CID 103763503
2,4-dibromo-N-(2-methoxyethyl)benzamide
CID 103882043
2,5-dibromo-1-N,4-N-bis(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 34673873

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(4-methoxybutyl)benzamide?
The IUPAC name of 2-bromo-4-chloro-N-(4-methoxybutyl)benzamide (CID 103763962) is 2-bromo-4-chloro-N-(4-methoxybutyl)benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-(4-methoxybutyl)benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-(4-methoxybutyl)benzamide is COCCCCNC(=O)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-(4-methoxybutyl)benzamide?
The InChIKey is AGAHCQHAEYBTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO2/c1-17-7-3-2-6-15-12(16)10-5-4-9(14)8-11(10)13/h4-5,8H,2-3,6-7H2,1H3,(H,15,16).
What are the key properties of 2-bromo-4-chloro-N-(4-methoxybutyl)benzamide?
2-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 2-bromo-4-chloro-N-(4-methoxybutyl)benzamide is sourced from PubChem (CID 103763962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).