N-methyl-4-(2,4,6-tribromoanilino)butanamide

C11H13Br3N2O — CID 63891830

IUPACN-methyl-4-(2,4,6-tribromoanilino)butanamide
SMILESCNC(=O)CCCNc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C11H13Br3N2O/c1-15-10(17)3-2-4-16-11-8(13)5-7(12)6-9(11)14/h5-6,16H,2-4H2,1H3,(H,15,17)
InChIKeyGAECJYBYEBYROZ-UHFFFAOYSA-N
MW428.95 g/mol
LogP3.91
Rot. Bonds5

About N-methyl-4-(2,4,6-tribromoanilino)butanamide

N-methyl-4-(2,4,6-tribromoanilino)butanamide (PubChem CID 63891830) has the molecular formula C11H13Br3N2O and a molecular weight of 428.95 g/mol. Its IUPAC name is N-methyl-4-(2,4,6-tribromoanilino)butanamide.

Molecular Properties

Compound NameN-methyl-4-(2,4,6-tribromoanilino)butanamide
PubChem CID63891830
Molecular FormulaC11H13Br3N2O
Molecular Weight428.95 g/mol
Exact Mass425.86
IUPAC NameN-methyl-4-(2,4,6-tribromoanilino)butanamide
SMILESCNC(=O)CCCNc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C11H13Br3N2O/c1-15-10(17)3-2-4-16-11-8(13)5-7(12)6-9(11)14/h5-6,16H,2-4H2,1H3,(H,15,17)
InChIKeyGAECJYBYEBYROZ-UHFFFAOYSA-N
XLogP3.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.95
LogP ≤ 53.91
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

4-[(6-bromonaphthalen-2-yl)amino]-N-methylbutanamide
CID 81260425
3,5-dibromo-2-[4-(methylamino)butanoylamino]benzoic acid
CID 63112292
N',N'-dimethyl-N-(2,4,6-tribromophenyl)propane-1,3-diamine
CID 114525073
2,4,6-tribromo-N-(4-methylsulfanylbutyl)aniline
CID 103087337
methyl 3,5-dibromo-2-(hexylamino)benzoate
CID 63451536
N-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butanamide
CID 65469929
4-(4-iodoanilino)-N-methylbutanamide
CID 63891617
methyl 3,5-dibromo-2-(3-methylsulfanylpropylamino)benzoate
CID 63452023
3-[(2,4-dibromophenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 103644791
4-(2,5-dichloro-4-methylanilino)-N-methylbutanamide
CID 113445823
6-amino-4,4-dimethyl-N-(2,4,6-tribromophenyl)hexanamide
CID 65292805
3-(5-bromo-2-methylphenyl)-N-methylpropanamide
CID 175640047

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2,4,6-tribromoanilino)butanamide?
The IUPAC name of N-methyl-4-(2,4,6-tribromoanilino)butanamide (CID 63891830) is N-methyl-4-(2,4,6-tribromoanilino)butanamide.
What is the SMILES notation for N-methyl-4-(2,4,6-tribromoanilino)butanamide?
The canonical SMILES for N-methyl-4-(2,4,6-tribromoanilino)butanamide is CNC(=O)CCCNc1c(Br)cc(Br)cc1Br.
What is the InChIKey of N-methyl-4-(2,4,6-tribromoanilino)butanamide?
The InChIKey is GAECJYBYEBYROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br3N2O/c1-15-10(17)3-2-4-16-11-8(13)5-7(12)6-9(11)14/h5-6,16H,2-4H2,1H3,(H,15,17).
What are the key properties of N-methyl-4-(2,4,6-tribromoanilino)butanamide?
N-methyl-4-(2,4,6-tribromoanilino)butanamide has a molecular weight of 428.95 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2,4,6-tribromoanilino)butanamide is sourced from PubChem (CID 63891830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).