5-bromo-N-(2,3-dichlorophenyl)pentanamide

C11H12BrCl2NO — CID 103601714

IUPAC5-bromo-N-(2,3-dichlorophenyl)pentanamide
SMILESO=C(CCCCBr)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C11H12BrCl2NO/c12-7-2-1-6-10(16)15-9-5-3-4-8(13)11(9)14/h3-5H,1-2,6-7H2,(H,15,16)
InChIKeyKKGYKORVTOCMGK-UHFFFAOYSA-N
MW325.03 g/mol
LogP4.50
Rot. Bonds5

About 5-bromo-N-(2,3-dichlorophenyl)pentanamide

5-bromo-N-(2,3-dichlorophenyl)pentanamide (PubChem CID 103601714) has the molecular formula C11H12BrCl2NO and a molecular weight of 325.03 g/mol. Its IUPAC name is 5-bromo-N-(2,3-dichlorophenyl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(2,3-dichlorophenyl)pentanamide
PubChem CID103601714
Molecular FormulaC11H12BrCl2NO
Molecular Weight325.03 g/mol
Exact Mass322.95
IUPAC Name5-bromo-N-(2,3-dichlorophenyl)pentanamide
SMILESO=C(CCCCBr)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C11H12BrCl2NO/c12-7-2-1-6-10(16)15-9-5-3-4-8(13)11(9)14/h3-5H,1-2,6-7H2,(H,15,16)
InChIKeyKKGYKORVTOCMGK-UHFFFAOYSA-N
XLogP4.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.03
LogP ≤ 54.50
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,N'-bis(2,3-dichlorophenyl)dodecanediamide
CID 3641487
[2-(5-bromopentanoylamino)phenyl]carbamic acid
CID 175518912
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N-(2,3-dichlorophenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 110298279
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
5-amino-N-(2-bromo-3-chlorophenyl)pentanamide
CID 103479361
N-(2,3-dichlorophenyl)-4-(4-fluorophenoxy)butanamide
CID 46534875
11-bromo-N-(2-methylphenyl)undecanamide
CID 51058287
N-(2,3-dichlorophenyl)-4-(2-ethoxyphenoxy)butanamide
CID 26364358
2-(4-bromophenyl)-N-(2,3-dichlorophenyl)acetamide
CID 1346170
5-[(2,3-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid
CID 28931983
N-(2-chlorophenyl)hexanamide
CID 4644560

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,3-dichlorophenyl)pentanamide?
The IUPAC name of 5-bromo-N-(2,3-dichlorophenyl)pentanamide (CID 103601714) is 5-bromo-N-(2,3-dichlorophenyl)pentanamide.
What is the SMILES notation for 5-bromo-N-(2,3-dichlorophenyl)pentanamide?
The canonical SMILES for 5-bromo-N-(2,3-dichlorophenyl)pentanamide is O=C(CCCCBr)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 5-bromo-N-(2,3-dichlorophenyl)pentanamide?
The InChIKey is KKGYKORVTOCMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrCl2NO/c12-7-2-1-6-10(16)15-9-5-3-4-8(13)11(9)14/h3-5H,1-2,6-7H2,(H,15,16).
What are the key properties of 5-bromo-N-(2,3-dichlorophenyl)pentanamide?
5-bromo-N-(2,3-dichlorophenyl)pentanamide has a molecular weight of 325.03 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,3-dichlorophenyl)pentanamide is sourced from PubChem (CID 103601714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).