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

C20H15BrN2O — CID 8751018

IUPAC4-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide
SMILESO=C(Nc1cccc(/C=C/c2ccccn2)c1)c1ccc(Br)cc1
InChIInChI=1S/C20H15BrN2O/c21-17-10-8-16(9-11-17)20(24)23-19-6-3-4-15(14-19)7-12-18-5-1-2-13-22-18/h1-14H,(H,23,24)/b12-7+
InChIKeyRVVKVDNDVQTNCV-KPKJPENVSA-N
MW379.26 g/mol
LogP5.27
Rot. Bonds4

About 4-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide

4-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide (PubChem CID 8751018) has the molecular formula C20H15BrN2O and a molecular weight of 379.26 g/mol. Its IUPAC name is 4-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide
PubChem CID8751018
Molecular FormulaC20H15BrN2O
Molecular Weight379.26 g/mol
Exact Mass378.04
IUPAC Name4-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide
SMILESO=C(Nc1cccc(/C=C/c2ccccn2)c1)c1ccc(Br)cc1
InChIInChI=1S/C20H15BrN2O/c21-17-10-8-16(9-11-17)20(24)23-19-6-3-4-15(14-19)7-12-18-5-1-2-13-22-18/h1-14H,(H,23,24)/b12-7+
InChIKeyRVVKVDNDVQTNCV-KPKJPENVSA-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-cyano-N-[3-(2-pyridin-2-ylethenyl)phenyl]benzamide
CID 4823960
2-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide
CID 8751013
3-fluoro-N-[3-(2-pyridin-2-ylethenyl)phenyl]benzamide
CID 4824000
5-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1H-indole-2-carboxamide
CID 39984636
2-acetamido-4,5-dimethoxy-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide
CID 9108507
N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]pyrimidin-2-amine
CID 18093346
4-acetyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide
CID 40664221
3-(4-tert-butylphenyl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]propanamide
CID 18267398
3-[3-(pyridine-4-carbonylamino)phenyl]prop-2-enoic acid
CID 76907802
1-(4-bromophenyl)-3-pyridin-2-ylprop-2-en-1-one
CID 3292603
4-bromo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748532
methyl 4-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]sulfamoyl]benzoate
CID 24510150

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide?
The IUPAC name of 4-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide (CID 8751018) is 4-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide is O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide?
The InChIKey is RVVKVDNDVQTNCV-KPKJPENVSA-N. The full InChI is InChI=1S/C20H15BrN2O/c21-17-10-8-16(9-11-17)20(24)23-19-6-3-4-15(14-19)7-12-18-5-1-2-13-22-18/h1-14H,(H,23,24)/b12-7+.
What are the key properties of 4-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide?
4-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 4-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide is sourced from PubChem (CID 8751018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).