5-bromo-N-(2,4,6-trichlorophenyl)pentanamide

C11H11BrCl3NO — CID 103601704

IUPAC5-bromo-N-(2,4,6-trichlorophenyl)pentanamide
SMILESO=C(CCCCBr)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H11BrCl3NO/c12-4-2-1-3-10(17)16-11-8(14)5-7(13)6-9(11)15/h5-6H,1-4H2,(H,16,17)
InChIKeyJTIALEMPIPOSKG-UHFFFAOYSA-N
MW359.48 g/mol
LogP5.15
Rot. Bonds5

About 5-bromo-N-(2,4,6-trichlorophenyl)pentanamide

5-bromo-N-(2,4,6-trichlorophenyl)pentanamide (PubChem CID 103601704) has the molecular formula C11H11BrCl3NO and a molecular weight of 359.48 g/mol. Its IUPAC name is 5-bromo-N-(2,4,6-trichlorophenyl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(2,4,6-trichlorophenyl)pentanamide
PubChem CID103601704
Molecular FormulaC11H11BrCl3NO
Molecular Weight359.48 g/mol
Exact Mass356.91
IUPAC Name5-bromo-N-(2,4,6-trichlorophenyl)pentanamide
SMILESO=C(CCCCBr)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H11BrCl3NO/c12-4-2-1-3-10(17)16-11-8(14)5-7(13)6-9(11)15/h5-6H,1-4H2,(H,16,17)
InChIKeyJTIALEMPIPOSKG-UHFFFAOYSA-N
XLogP5.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.48
LogP ≤ 55.15
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

5-bromo-N-(2,6-dichloro-3-methylphenyl)pentanamide
CID 107907179
3,5-dichloro-2-(octanoylamino)benzoic acid
CID 43331454
4-(7-aminoheptanoylamino)-3,5-dichlorobenzoic acid
CID 82812561
4-bromo-N-(3,4,5-trichlorophenyl)butanamide
CID 71446010
5-amino-N-(2,6-dibromo-4-chlorophenyl)pentanamide
CID 114209129
N-(2,6-dichloro-4-fluorophenyl)-4-hydroxybutanamide
CID 83082072
5-bromo-N-(2,3-dichlorophenyl)pentanamide
CID 103601714
N,N'-bis(2,6-dichlorophenyl)pentanediamide
CID 1291740
5-bromo-N-(5-chloro-2-methoxyphenyl)pentanamide
CID 103601683
5-bromo-N-[3-chloro-4-(dimethylamino)phenyl]pentanamide
CID 107909156
3-bromo-N-(3,5-dichlorophenyl)propanamide
CID 112698581
5-bromo-N-(2-chloro-4-pyridinyl)pentanamide
CID 107910446

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,4,6-trichlorophenyl)pentanamide?
The IUPAC name of 5-bromo-N-(2,4,6-trichlorophenyl)pentanamide (CID 103601704) is 5-bromo-N-(2,4,6-trichlorophenyl)pentanamide.
What is the SMILES notation for 5-bromo-N-(2,4,6-trichlorophenyl)pentanamide?
The canonical SMILES for 5-bromo-N-(2,4,6-trichlorophenyl)pentanamide is O=C(CCCCBr)Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 5-bromo-N-(2,4,6-trichlorophenyl)pentanamide?
The InChIKey is JTIALEMPIPOSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrCl3NO/c12-4-2-1-3-10(17)16-11-8(14)5-7(13)6-9(11)15/h5-6H,1-4H2,(H,16,17).
What are the key properties of 5-bromo-N-(2,4,6-trichlorophenyl)pentanamide?
5-bromo-N-(2,4,6-trichlorophenyl)pentanamide has a molecular weight of 359.48 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,4,6-trichlorophenyl)pentanamide is sourced from PubChem (CID 103601704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).