4-bromo-N-(4-bromo-2-pyridinyl)butanamide;ethane

C11H16Br2N2O — CID 177218315

IUPAC4-bromo-N-(4-bromo-2-pyridinyl)butanamide;ethane
SMILESCC.O=C(CCCBr)Nc1cc(Br)ccn1
InChIInChI=1S/C9H10Br2N2O.C2H6/c10-4-1-2-9(14)13-8-6-7(11)3-5-12-8;1-2/h3,5-6H,1-2,4H2,(H,12,13,14);1-2H3
InChIKeyLMSBXLXGLSSKMA-UHFFFAOYSA-N
MW352.07 g/mol
LogP3.98
Rot. Bonds4

About 4-bromo-N-(4-bromo-2-pyridinyl)butanamide;ethane

4-bromo-N-(4-bromo-2-pyridinyl)butanamide;ethane (PubChem CID 177218315) has the molecular formula C11H16Br2N2O and a molecular weight of 352.07 g/mol. Its IUPAC name is 4-bromo-N-(4-bromo-2-pyridinyl)butanamide;ethane.

Molecular Properties

Compound Name4-bromo-N-(4-bromo-2-pyridinyl)butanamide;ethane
PubChem CID177218315
Molecular FormulaC11H16Br2N2O
Molecular Weight352.07 g/mol
Exact Mass349.96
IUPAC Name4-bromo-N-(4-bromo-2-pyridinyl)butanamide;ethane
SMILESCC.O=C(CCCBr)Nc1cc(Br)ccn1
InChIInChI=1S/C9H10Br2N2O.C2H6/c10-4-1-2-9(14)13-8-6-7(11)3-5-12-8;1-2/h3,5-6H,1-2,4H2,(H,12,13,14);1-2H3
InChIKeyLMSBXLXGLSSKMA-UHFFFAOYSA-N
XLogP3.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.07
LogP ≤ 53.98
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

N-(4-bromo-2-pyridinyl)-4-cyclopentylbutanamide
CID 115274320
N-(4-bromo-2-pyridinyl)-4-phenylbutanamide
CID 102674174
N-(4-bromo-2-pyridinyl)cyclopentanecarboxamide
CID 102674366
N-(4-bromo-2-pyridinyl)-2-cyclobutylacetamide
CID 102674085
N-(4-bromo-2-pyridinyl)-4-methylcyclohexane-1-carboxamide
CID 102674384
ethyl N-(4-bromo-2-pyridinyl)carbamate
CID 102820649
N-(4-bromo-2-pyridinyl)-3-(triazol-1-yl)propanamide
CID 102820490
1-(4-bromo-2-pyridinyl)-3-propylurea
CID 102820656
2-bromo-N-(4-bromo-2-pyridinyl)-3-methylbutanamide
CID 130631426
N-(4-bromo-2-pyridinyl)-5-methylpyrazine-2-carboxamide
CID 102674370
N-(4-bromo-2-pyridinyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106704334
4-bromo-N-(6-bromo-2-pyridinyl)butanamide
CID 134366786

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-bromo-2-pyridinyl)butanamide;ethane?
The IUPAC name of 4-bromo-N-(4-bromo-2-pyridinyl)butanamide;ethane (CID 177218315) is 4-bromo-N-(4-bromo-2-pyridinyl)butanamide;ethane.
What is the SMILES notation for 4-bromo-N-(4-bromo-2-pyridinyl)butanamide;ethane?
The canonical SMILES for 4-bromo-N-(4-bromo-2-pyridinyl)butanamide;ethane is CC.O=C(CCCBr)Nc1cc(Br)ccn1.
What is the InChIKey of 4-bromo-N-(4-bromo-2-pyridinyl)butanamide;ethane?
The InChIKey is LMSBXLXGLSSKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2N2O.C2H6/c10-4-1-2-9(14)13-8-6-7(11)3-5-12-8;1-2/h3,5-6H,1-2,4H2,(H,12,13,14);1-2H3.
What are the key properties of 4-bromo-N-(4-bromo-2-pyridinyl)butanamide;ethane?
4-bromo-N-(4-bromo-2-pyridinyl)butanamide;ethane has a molecular weight of 352.07 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-bromo-2-pyridinyl)butanamide;ethane is sourced from PubChem (CID 177218315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).