5-amino-N-(2,6-dibromo-4-chlorophenyl)pentanamide

C11H13Br2ClN2O — CID 114209129

IUPAC5-amino-N-(2,6-dibromo-4-chlorophenyl)pentanamide
SMILESNCCCCC(=O)Nc1c(Br)cc(Cl)cc1Br
InChIInChI=1S/C11H13Br2ClN2O/c12-8-5-7(14)6-9(13)11(8)16-10(17)3-1-2-4-15/h5-6H,1-4,15H2,(H,16,17)
InChIKeyBXVKNHYNRYYBHT-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.93
Rot. Bonds5

About 5-amino-N-(2,6-dibromo-4-chlorophenyl)pentanamide

5-amino-N-(2,6-dibromo-4-chlorophenyl)pentanamide (PubChem CID 114209129) has the molecular formula C11H13Br2ClN2O and a molecular weight of 384.50 g/mol. Its IUPAC name is 5-amino-N-(2,6-dibromo-4-chlorophenyl)pentanamide.

Molecular Properties

Compound Name5-amino-N-(2,6-dibromo-4-chlorophenyl)pentanamide
PubChem CID114209129
Molecular FormulaC11H13Br2ClN2O
Molecular Weight384.50 g/mol
Exact Mass381.91
IUPAC Name5-amino-N-(2,6-dibromo-4-chlorophenyl)pentanamide
SMILESNCCCCC(=O)Nc1c(Br)cc(Cl)cc1Br
InChIInChI=1S/C11H13Br2ClN2O/c12-8-5-7(14)6-9(13)11(8)16-10(17)3-1-2-4-15/h5-6H,1-4,15H2,(H,16,17)
InChIKeyBXVKNHYNRYYBHT-UHFFFAOYSA-N
XLogP3.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(2-bromo-4-chlorophenyl)hexanamide
CID 81263613
6-amino-N-(3-bromo-5-chloro-2-ethoxyphenyl)hexanamide
CID 43704625
5-amino-N-(2-bromo-6-fluorophenyl)pentanamide
CID 107599895
4-(7-aminoheptanoylamino)-3,5-dichlorobenzoic acid
CID 82812561
N-(4-amino-2,6-dibromophenyl)hexanamide
CID 43549305
1,3-bis(2,6-dibromo-4-chlorophenyl)urea
CID 3259704
5-bromo-N-(2,4,6-trichlorophenyl)pentanamide
CID 103601704
6-amino-N-(2,5-dichlorophenyl)hexanamide
CID 24694210
7-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)heptanamide
CID 43710336
7-amino-N-(4-bromophenyl)heptanamide;hydrochloride
CID 119670334
6-(2,6-dibromo-4-methylanilino)-6-oxohexanoic acid
CID 54867481
5-amino-N-(2-bromo-3-chlorophenyl)pentanamide
CID 103479361

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,6-dibromo-4-chlorophenyl)pentanamide?
The IUPAC name of 5-amino-N-(2,6-dibromo-4-chlorophenyl)pentanamide (CID 114209129) is 5-amino-N-(2,6-dibromo-4-chlorophenyl)pentanamide.
What is the SMILES notation for 5-amino-N-(2,6-dibromo-4-chlorophenyl)pentanamide?
The canonical SMILES for 5-amino-N-(2,6-dibromo-4-chlorophenyl)pentanamide is NCCCCC(=O)Nc1c(Br)cc(Cl)cc1Br.
What is the InChIKey of 5-amino-N-(2,6-dibromo-4-chlorophenyl)pentanamide?
The InChIKey is BXVKNHYNRYYBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2ClN2O/c12-8-5-7(14)6-9(13)11(8)16-10(17)3-1-2-4-15/h5-6H,1-4,15H2,(H,16,17).
What are the key properties of 5-amino-N-(2,6-dibromo-4-chlorophenyl)pentanamide?
5-amino-N-(2,6-dibromo-4-chlorophenyl)pentanamide has a molecular weight of 384.50 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,6-dibromo-4-chlorophenyl)pentanamide is sourced from PubChem (CID 114209129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).