2-bromo-N-[4-bromo-2-(pyridine-2-carbonyl)phenyl]acetamide;hydrobromide

C14H11Br3N2O2 — CID 158180443

IUPAC2-bromo-N-[4-bromo-2-(pyridine-2-carbonyl)phenyl]acetamide;hydrobromide
SMILESBr.O=C(CBr)Nc1ccc(Br)cc1C(=O)c1ccccn1
InChIInChI=1S/C14H10Br2N2O2.BrH/c15-8-13(19)18-11-5-4-9(16)7-10(11)14(20)12-3-1-2-6-17-12;/h1-7H,8H2,(H,18,19);1H
InChIKeyFYNDMLHRRXAEKB-UHFFFAOYSA-N
MW478.97 g/mol
LogP3.99
Rot. Bonds4

About 2-bromo-N-[4-bromo-2-(pyridine-2-carbonyl)phenyl]acetamide;hydrobromide

2-bromo-N-[4-bromo-2-(pyridine-2-carbonyl)phenyl]acetamide;hydrobromide (PubChem CID 158180443) has the molecular formula C14H11Br3N2O2 and a molecular weight of 478.97 g/mol. Its IUPAC name is 2-bromo-N-[4-bromo-2-(pyridine-2-carbonyl)phenyl]acetamide;hydrobromide.

Molecular Properties

Compound Name2-bromo-N-[4-bromo-2-(pyridine-2-carbonyl)phenyl]acetamide;hydrobromide
PubChem CID158180443
Molecular FormulaC14H11Br3N2O2
Molecular Weight478.97 g/mol
Exact Mass475.84
IUPAC Name2-bromo-N-[4-bromo-2-(pyridine-2-carbonyl)phenyl]acetamide;hydrobromide
SMILESBr.O=C(CBr)Nc1ccc(Br)cc1C(=O)c1ccccn1
InChIInChI=1S/C14H10Br2N2O2.BrH/c15-8-13(19)18-11-5-4-9(16)7-10(11)14(20)12-3-1-2-6-17-12;/h1-7H,8H2,(H,18,19);1H
InChIKeyFYNDMLHRRXAEKB-UHFFFAOYSA-N
XLogP3.99
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.97
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-bromo-2-(difluoromethyl)phenyl]-pyridin-2-ylmethanone
CID 134617165
5-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid
CID 62074818
N-[2-(4-bromopyridine-2-carbonyl)phenyl]-2-chloroacetamide
CID 70700552
N-[4-bromo-2-[[(E)-(3,4-dimethylphenyl)methylideneamino]carbamoyl]phenyl]pyridine-2-carboxamide
CID 58712842
2-bromo-N-[2-(3-bromobenzoyl)phenyl]acetamide
CID 150212976
N-(2-benzoyl-4-bromophenyl)-2-methoxyacetamide
CID 166884610
(5-bromo-2-pyrrolidin-1-ylphenyl)-pyridin-2-ylmethanone
CID 168512036
(2-amino-3,5-dibromophenyl)-pyridin-2-ylmethanone
CID 12939592
N'-(5-bromo-2-fluorobenzoyl)pyridine-2-carbohydrazide
CID 9331928
(2-amino-5-hydroxyphenyl)-pyridin-2-ylmethanone
CID 118808080
3-bromobenzohydrazide;dipyridin-2-ylmethanone
CID 118467850
[5-bromo-2-[3-(diethylaminomethyl)-1,2,4-triazol-4-yl]phenyl]-pyridin-2-ylmethanone
CID 21416584

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-bromo-2-(pyridine-2-carbonyl)phenyl]acetamide;hydrobromide?
The IUPAC name of 2-bromo-N-[4-bromo-2-(pyridine-2-carbonyl)phenyl]acetamide;hydrobromide (CID 158180443) is 2-bromo-N-[4-bromo-2-(pyridine-2-carbonyl)phenyl]acetamide;hydrobromide.
What is the SMILES notation for 2-bromo-N-[4-bromo-2-(pyridine-2-carbonyl)phenyl]acetamide;hydrobromide?
The canonical SMILES for 2-bromo-N-[4-bromo-2-(pyridine-2-carbonyl)phenyl]acetamide;hydrobromide is Br.O=C(CBr)Nc1ccc(Br)cc1C(=O)c1ccccn1.
What is the InChIKey of 2-bromo-N-[4-bromo-2-(pyridine-2-carbonyl)phenyl]acetamide;hydrobromide?
The InChIKey is FYNDMLHRRXAEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2N2O2.BrH/c15-8-13(19)18-11-5-4-9(16)7-10(11)14(20)12-3-1-2-6-17-12;/h1-7H,8H2,(H,18,19);1H.
What are the key properties of 2-bromo-N-[4-bromo-2-(pyridine-2-carbonyl)phenyl]acetamide;hydrobromide?
2-bromo-N-[4-bromo-2-(pyridine-2-carbonyl)phenyl]acetamide;hydrobromide has a molecular weight of 478.97 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-bromo-2-(pyridine-2-carbonyl)phenyl]acetamide;hydrobromide is sourced from PubChem (CID 158180443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).