N-(4-amino-3,5-dibromo-2,6-dimethylphenyl)butanamide

C12H16Br2N2O — CID 50880834

IUPACN-(4-amino-3,5-dibromo-2,6-dimethylphenyl)butanamide
SMILESCCCC(=O)Nc1c(C)c(Br)c(N)c(Br)c1C
InChIInChI=1S/C12H16Br2N2O/c1-4-5-8(17)16-12-6(2)9(13)11(15)10(14)7(12)3/h4-5,15H2,1-3H3,(H,16,17)
InChIKeyCXMLYDPFVXNUFC-UHFFFAOYSA-N
MW364.08 g/mol
LogP4.15
Rot. Bonds3

About N-(4-amino-3,5-dibromo-2,6-dimethylphenyl)butanamide

N-(4-amino-3,5-dibromo-2,6-dimethylphenyl)butanamide (PubChem CID 50880834) has the molecular formula C12H16Br2N2O and a molecular weight of 364.08 g/mol. Its IUPAC name is N-(4-amino-3,5-dibromo-2,6-dimethylphenyl)butanamide.

Molecular Properties

Compound NameN-(4-amino-3,5-dibromo-2,6-dimethylphenyl)butanamide
PubChem CID50880834
Molecular FormulaC12H16Br2N2O
Molecular Weight364.08 g/mol
Exact Mass361.96
IUPAC NameN-(4-amino-3,5-dibromo-2,6-dimethylphenyl)butanamide
SMILESCCCC(=O)Nc1c(C)c(Br)c(N)c(Br)c1C
InChIInChI=1S/C12H16Br2N2O/c1-4-5-8(17)16-12-6(2)9(13)11(15)10(14)7(12)3/h4-5,15H2,1-3H3,(H,16,17)
InChIKeyCXMLYDPFVXNUFC-UHFFFAOYSA-N
XLogP4.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.08
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2,6-dimethylphenyl)butanamide
CID 24711453
N-[2,3,5,6-tetramethyl-4-(undecanoylamino)phenyl]undecanamide
CID 100965559
N-[2,3,4,5-tetramethyl-6-(pentanoylamino)phenyl]pentanamide
CID 101068763
3-bromo-2-(butanoylamino)-5-methylbenzoic acid
CID 47069657
N-(3-amino-4-bromophenyl)butanamide
CID 79768270
N-(4-amino-2,6-dibromophenyl)hexanamide
CID 43549305
N-(4-amino-2-bromophenyl)butanamide
CID 43549445
N-(2,3,4,5,6-pentamethylphenyl)propanamide
CID 58731539
N-[2-(decanoylamino)-3,4,5,6-tetramethylphenyl]decanamide
CID 101068768
N-(4-methoxy-2,6-dimethylphenyl)butanamide
CID 155118629
N-(2,3,5,6-tetrafluoro-4-pyridinyl)butanamide
CID 130387820
N-(3-amino-2,6-dimethylphenyl)decanamide
CID 65448531

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,5-dibromo-2,6-dimethylphenyl)butanamide?
The IUPAC name of N-(4-amino-3,5-dibromo-2,6-dimethylphenyl)butanamide (CID 50880834) is N-(4-amino-3,5-dibromo-2,6-dimethylphenyl)butanamide.
What is the SMILES notation for N-(4-amino-3,5-dibromo-2,6-dimethylphenyl)butanamide?
The canonical SMILES for N-(4-amino-3,5-dibromo-2,6-dimethylphenyl)butanamide is CCCC(=O)Nc1c(C)c(Br)c(N)c(Br)c1C.
What is the InChIKey of N-(4-amino-3,5-dibromo-2,6-dimethylphenyl)butanamide?
The InChIKey is CXMLYDPFVXNUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O/c1-4-5-8(17)16-12-6(2)9(13)11(15)10(14)7(12)3/h4-5,15H2,1-3H3,(H,16,17).
What are the key properties of N-(4-amino-3,5-dibromo-2,6-dimethylphenyl)butanamide?
N-(4-amino-3,5-dibromo-2,6-dimethylphenyl)butanamide has a molecular weight of 364.08 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,5-dibromo-2,6-dimethylphenyl)butanamide is sourced from PubChem (CID 50880834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).