N-(4-amino-2,6-dibromophenyl)hexanamide

C12H16Br2N2O — CID 43549305

IUPACN-(4-amino-2,6-dibromophenyl)hexanamide
SMILESCCCCCC(=O)Nc1c(Br)cc(N)cc1Br
InChIInChI=1S/C12H16Br2N2O/c1-2-3-4-5-11(17)16-12-9(13)6-8(15)7-10(12)14/h6-7H,2-5,15H2,1H3,(H,16,17)
InChIKeyVHEZWLDQXAJYEI-UHFFFAOYSA-N
MW364.08 g/mol
LogP4.31
Rot. Bonds5

About N-(4-amino-2,6-dibromophenyl)hexanamide

N-(4-amino-2,6-dibromophenyl)hexanamide (PubChem CID 43549305) has the molecular formula C12H16Br2N2O and a molecular weight of 364.08 g/mol. Its IUPAC name is N-(4-amino-2,6-dibromophenyl)hexanamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dibromophenyl)hexanamide
PubChem CID43549305
Molecular FormulaC12H16Br2N2O
Molecular Weight364.08 g/mol
Exact Mass361.96
IUPAC NameN-(4-amino-2,6-dibromophenyl)hexanamide
SMILESCCCCCC(=O)Nc1c(Br)cc(N)cc1Br
InChIInChI=1S/C12H16Br2N2O/c1-2-3-4-5-11(17)16-12-9(13)6-8(15)7-10(12)14/h6-7H,2-5,15H2,1H3,(H,16,17)
InChIKeyVHEZWLDQXAJYEI-UHFFFAOYSA-N
XLogP4.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.08
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-bromophenyl)pentanamide
CID 43549447
6-(2,6-dibromo-4-methylanilino)-6-oxohexanoic acid
CID 54867481
5-amino-N-(2,6-dibromo-4-chlorophenyl)pentanamide
CID 114209129
N-(4-amino-2,6-dibromophenyl)-3-cyclopentylpropanamide
CID 43549384
N-(4-amino-2,6-dibromophenyl)-3-(2-methylphenyl)propanamide
CID 62366372
N-(2,4-dibromophenyl)hexanamide
CID 4251482
N-(2-amino-4,6-difluorophenyl)heptanamide
CID 114752030
N-(2-amino-4-bromophenyl)nonanamide
CID 65449103
N-(4-amino-2-fluorophenyl)heptanamide
CID 28691330
3-bromo-2-(hexanoylamino)benzoic acid
CID 63112965
N-(2-amino-4,6-difluorophenyl)octanamide
CID 81314143
N-[2,3,5,6-tetramethyl-4-(undecanoylamino)phenyl]undecanamide
CID 100965559

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dibromophenyl)hexanamide?
The IUPAC name of N-(4-amino-2,6-dibromophenyl)hexanamide (CID 43549305) is N-(4-amino-2,6-dibromophenyl)hexanamide.
What is the SMILES notation for N-(4-amino-2,6-dibromophenyl)hexanamide?
The canonical SMILES for N-(4-amino-2,6-dibromophenyl)hexanamide is CCCCCC(=O)Nc1c(Br)cc(N)cc1Br.
What is the InChIKey of N-(4-amino-2,6-dibromophenyl)hexanamide?
The InChIKey is VHEZWLDQXAJYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O/c1-2-3-4-5-11(17)16-12-9(13)6-8(15)7-10(12)14/h6-7H,2-5,15H2,1H3,(H,16,17).
What are the key properties of N-(4-amino-2,6-dibromophenyl)hexanamide?
N-(4-amino-2,6-dibromophenyl)hexanamide has a molecular weight of 364.08 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dibromophenyl)hexanamide is sourced from PubChem (CID 43549305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).