2-bromo-N-(4-bromo-2-pyridinyl)-3-methylbutanamide

C10H12Br2N2O — CID 130631426

IUPAC2-bromo-N-(4-bromo-2-pyridinyl)-3-methylbutanamide
SMILESCC(C)C(Br)C(=O)Nc1cc(Br)ccn1
InChIInChI=1S/C10H12Br2N2O/c1-6(2)9(12)10(15)14-8-5-7(11)3-4-13-8/h3-6,9H,1-2H3,(H,13,14,15)
InChIKeyLFAKRXIDBNUKHR-UHFFFAOYSA-N
MW336.03 g/mol
LogP3.20
Rot. Bonds3

About 2-bromo-N-(4-bromo-2-pyridinyl)-3-methylbutanamide

2-bromo-N-(4-bromo-2-pyridinyl)-3-methylbutanamide (PubChem CID 130631426) has the molecular formula C10H12Br2N2O and a molecular weight of 336.03 g/mol. Its IUPAC name is 2-bromo-N-(4-bromo-2-pyridinyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-bromo-N-(4-bromo-2-pyridinyl)-3-methylbutanamide
PubChem CID130631426
Molecular FormulaC10H12Br2N2O
Molecular Weight336.03 g/mol
Exact Mass333.93
IUPAC Name2-bromo-N-(4-bromo-2-pyridinyl)-3-methylbutanamide
SMILESCC(C)C(Br)C(=O)Nc1cc(Br)ccn1
InChIInChI=1S/C10H12Br2N2O/c1-6(2)9(12)10(15)14-8-5-7(11)3-4-13-8/h3-6,9H,1-2H3,(H,13,14,15)
InChIKeyLFAKRXIDBNUKHR-UHFFFAOYSA-N
XLogP3.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.03
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(5-bromo-2-pyridinyl)-3-methylbutanamide
CID 43114357
N-(4-bromo-2-pyridinyl)-4-propan-2-ylbenzamide
CID 102674107
2-bromo-N-(3-bromophenyl)-3-methylbutanamide
CID 24698066
3-[(4-bromo-2-pyridinyl)amino]butanamide
CID 130671461
4-bromo-N-(4-bromo-2-pyridinyl)butanamide;ethane
CID 177218315
ethyl N-(4-bromo-2-pyridinyl)carbamate
CID 102820649
3-[(4-bromo-2-pyridinyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122091610
1-(4-bromo-2-pyridinyl)-3-propylurea
CID 102820656
1-(4-bromo-2-pyridinyl)-3-(2-methoxyphenyl)urea
CID 108866585
N-(4-bromo-2-pyridinyl)cyclopentanecarboxamide
CID 102674366
N-(4-bromo-2-pyridinyl)-2-methyl-2-phenylpropanamide
CID 102820562
N-(4-bromo-2-pyridinyl)-4-methylcyclohexane-1-carboxamide
CID 102674384

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-bromo-2-pyridinyl)-3-methylbutanamide?
The IUPAC name of 2-bromo-N-(4-bromo-2-pyridinyl)-3-methylbutanamide (CID 130631426) is 2-bromo-N-(4-bromo-2-pyridinyl)-3-methylbutanamide.
What is the SMILES notation for 2-bromo-N-(4-bromo-2-pyridinyl)-3-methylbutanamide?
The canonical SMILES for 2-bromo-N-(4-bromo-2-pyridinyl)-3-methylbutanamide is CC(C)C(Br)C(=O)Nc1cc(Br)ccn1.
What is the InChIKey of 2-bromo-N-(4-bromo-2-pyridinyl)-3-methylbutanamide?
The InChIKey is LFAKRXIDBNUKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2N2O/c1-6(2)9(12)10(15)14-8-5-7(11)3-4-13-8/h3-6,9H,1-2H3,(H,13,14,15).
What are the key properties of 2-bromo-N-(4-bromo-2-pyridinyl)-3-methylbutanamide?
2-bromo-N-(4-bromo-2-pyridinyl)-3-methylbutanamide has a molecular weight of 336.03 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-bromo-2-pyridinyl)-3-methylbutanamide is sourced from PubChem (CID 130631426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).