3-bromo-N-(2-bromo-2-phenylethyl)pyridine-2-carboxamide

C14H12Br2N2O — CID 107526242

IUPAC3-bromo-N-(2-bromo-2-phenylethyl)pyridine-2-carboxamide
SMILESO=C(NCC(Br)c1ccccc1)c1ncccc1Br
InChIInChI=1S/C14H12Br2N2O/c15-11-7-4-8-17-13(11)14(19)18-9-12(16)10-5-2-1-3-6-10/h1-8,12H,9H2,(H,18,19)
InChIKeyINCZQPCLNJEOIF-UHFFFAOYSA-N
MW384.07 g/mol
LogP3.71
Rot. Bonds4

About 3-bromo-N-(2-bromo-2-phenylethyl)pyridine-2-carboxamide

3-bromo-N-(2-bromo-2-phenylethyl)pyridine-2-carboxamide (PubChem CID 107526242) has the molecular formula C14H12Br2N2O and a molecular weight of 384.07 g/mol. Its IUPAC name is 3-bromo-N-(2-bromo-2-phenylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(2-bromo-2-phenylethyl)pyridine-2-carboxamide
PubChem CID107526242
Molecular FormulaC14H12Br2N2O
Molecular Weight384.07 g/mol
Exact Mass381.93
IUPAC Name3-bromo-N-(2-bromo-2-phenylethyl)pyridine-2-carboxamide
SMILESO=C(NCC(Br)c1ccccc1)c1ncccc1Br
InChIInChI=1S/C14H12Br2N2O/c15-11-7-4-8-17-13(11)14(19)18-9-12(16)10-5-2-1-3-6-10/h1-8,12H,9H2,(H,18,19)
InChIKeyINCZQPCLNJEOIF-UHFFFAOYSA-N
XLogP3.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.07
LogP ≤ 53.71
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

3-[(3-bromopyridine-2-carbonyl)amino]-2-phenylpropanoic acid
CID 107517083
N-(2-bromo-2-phenylethyl)pyridine-2-carboxamide
CID 114308424
3-bromo-N-[(2S)-2-hydroxypropyl]pyridine-2-carboxamide
CID 107519736
3-bromo-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 107517966
2,5-dibromo-N-(2-bromo-2-phenylethyl)benzamide
CID 114375751
N-(2-bromo-2-phenylethyl)-2,6-dihydroxybenzamide
CID 107691090
3-bromo-N-(2-oxopropyl)pyridine-2-carboxamide
CID 107517564
3-bromo-N-(3-methyl-2-oxobutyl)pyridine-2-carboxamide
CID 107517566
3-bromo-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide
CID 114078844
3-[(3-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 107517223
(2S)-2-[(3-bromopyridine-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 107517042
3-bromo-N-[(2S)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]pyridine-2-carboxamide
CID 99802209

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-bromo-2-phenylethyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(2-bromo-2-phenylethyl)pyridine-2-carboxamide (CID 107526242) is 3-bromo-N-(2-bromo-2-phenylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(2-bromo-2-phenylethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(2-bromo-2-phenylethyl)pyridine-2-carboxamide is O=C(NCC(Br)c1ccccc1)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-(2-bromo-2-phenylethyl)pyridine-2-carboxamide?
The InChIKey is INCZQPCLNJEOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O/c15-11-7-4-8-17-13(11)14(19)18-9-12(16)10-5-2-1-3-6-10/h1-8,12H,9H2,(H,18,19).
What are the key properties of 3-bromo-N-(2-bromo-2-phenylethyl)pyridine-2-carboxamide?
3-bromo-N-(2-bromo-2-phenylethyl)pyridine-2-carboxamide has a molecular weight of 384.07 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-bromo-2-phenylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 107526242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).