2-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide

C20H15BrN2O — CID 8751013

IUPAC2-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide
SMILESO=C(Nc1cccc(/C=C/c2ccccn2)c1)c1ccccc1Br
InChIInChI=1S/C20H15BrN2O/c21-19-10-2-1-9-18(19)20(24)23-17-8-5-6-15(14-17)11-12-16-7-3-4-13-22-16/h1-14H,(H,23,24)/b12-11+
InChIKeyGOFQKYDGYCIIPB-VAWYXSNFSA-N
MW379.26 g/mol
LogP5.27
Rot. Bonds4

About 2-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide

2-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide (PubChem CID 8751013) has the molecular formula C20H15BrN2O and a molecular weight of 379.26 g/mol. Its IUPAC name is 2-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide
PubChem CID8751013
Molecular FormulaC20H15BrN2O
Molecular Weight379.26 g/mol
Exact Mass378.04
IUPAC Name2-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide
SMILESO=C(Nc1cccc(/C=C/c2ccccn2)c1)c1ccccc1Br
InChIInChI=1S/C20H15BrN2O/c21-19-10-2-1-9-18(19)20(24)23-17-8-5-6-15(14-17)11-12-16-7-3-4-13-22-16/h1-14H,(H,23,24)/b12-11+
InChIKeyGOFQKYDGYCIIPB-VAWYXSNFSA-N
XLogP5.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.26
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide
CID 8751018
3-fluoro-N-[3-(2-pyridin-2-ylethenyl)phenyl]benzamide
CID 4824000
2-acetamido-4,5-dimethoxy-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide
CID 9108507
4-cyano-N-[3-(2-pyridin-2-ylethenyl)phenyl]benzamide
CID 4823960
N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]pyrimidin-2-amine
CID 18093346
2-bromo-N-(3-methylphenyl)benzamide
CID 532187
5-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1H-indole-2-carboxamide
CID 39984636
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide
CID 18227715
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide
CID 8832165
3-(4-tert-butylphenyl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]propanamide
CID 18267398
N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2-bromobenzamide
CID 24877441
2-(4-oxo-1,3-thiazolidin-3-yl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide
CID 9120373

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide?
The IUPAC name of 2-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide (CID 8751013) is 2-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide is O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide?
The InChIKey is GOFQKYDGYCIIPB-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H15BrN2O/c21-19-10-2-1-9-18(19)20(24)23-17-8-5-6-15(14-17)11-12-16-7-3-4-13-22-16/h1-14H,(H,23,24)/b12-11+.
What are the key properties of 2-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide?
2-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide has a molecular weight of 379.26 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide is sourced from PubChem (CID 8751013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).