N-(5-bromo-2-pyridinyl)-4-chloro-3-(4-phenylphenyl)benzamide

C24H16BrClN2O — CID 11705340

IUPACN-(5-bromo-2-pyridinyl)-4-chloro-3-(4-phenylphenyl)benzamide
SMILESO=C(Nc1ccc(Br)cn1)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C24H16BrClN2O/c25-20-11-13-23(27-15-20)28-24(29)19-10-12-22(26)21(14-19)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-15H,(H,27,28,29)
InChIKeyNWGPUFKLJLOECA-UHFFFAOYSA-N
MW463.76 g/mol
LogP7.08
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-4-chloro-3-(4-phenylphenyl)benzamide

N-(5-bromo-2-pyridinyl)-4-chloro-3-(4-phenylphenyl)benzamide (PubChem CID 11705340) has the molecular formula C24H16BrClN2O and a molecular weight of 463.76 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-4-chloro-3-(4-phenylphenyl)benzamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-4-chloro-3-(4-phenylphenyl)benzamide
PubChem CID11705340
Molecular FormulaC24H16BrClN2O
Molecular Weight463.76 g/mol
Exact Mass462.01
IUPAC NameN-(5-bromo-2-pyridinyl)-4-chloro-3-(4-phenylphenyl)benzamide
SMILESO=C(Nc1ccc(Br)cn1)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C24H16BrClN2O/c25-20-11-13-23(27-15-20)28-24(29)19-10-12-22(26)21(14-19)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-15H,(H,27,28,29)
InChIKeyNWGPUFKLJLOECA-UHFFFAOYSA-N
XLogP7.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.76
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-Bromo-2-pyridinyl)-1-naphthamide
CID 593268
N-(5-bromopyridin-2-yl)naphthalene-2-carboxamide
CID 792421
N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)acrylamide
CID 800747
2-chloro-N-[5-[(2-hydroxyethylamino)methyl]-2-pyridinyl]-3-phenylbenzamide
CID 162355023
2-chloro-N-(pyridin-2-yl)benzamide
CID 350153
N-(5-bromopyridin-2-yl)-2-[(2-chlorobenzoyl)amino]benzamide
CID 1268365
N-[5-(4-Chlorophenyl)-2-pyridinyl]benzamide
CID 24949255
3-Chloro-N-(5-phenylpyridin-2-yl)benzamide
CID 24949714
3-Chloro-N-(6-methylpyridin-2-yl)-4-(pyridine-3-yl)-benzamid
CID 44157098
4-(6-Amino-5-(4-chlorophenyl)pyridin-3-YL)benzamide
CID 127036952
N-[5-[(2-acetamidoethylamino)methyl]-2-pyridinyl]-2-chloro-3-phenylbenzamide
CID 166630107
2-chloro-N-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-3-phenylbenzamide
CID 166631179

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-4-chloro-3-(4-phenylphenyl)benzamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-4-chloro-3-(4-phenylphenyl)benzamide (CID 11705340) is N-(5-bromo-2-pyridinyl)-4-chloro-3-(4-phenylphenyl)benzamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-4-chloro-3-(4-phenylphenyl)benzamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-4-chloro-3-(4-phenylphenyl)benzamide is O=C(Nc1ccc(Br)cn1)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-4-chloro-3-(4-phenylphenyl)benzamide?
The InChIKey is NWGPUFKLJLOECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BrClN2O/c25-20-11-13-23(27-15-20)28-24(29)19-10-12-22(26)21(14-19)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-15H,(H,27,28,29).
What are the key properties of N-(5-bromo-2-pyridinyl)-4-chloro-3-(4-phenylphenyl)benzamide?
N-(5-bromo-2-pyridinyl)-4-chloro-3-(4-phenylphenyl)benzamide has a molecular weight of 463.76 g/mol, XLogP of 7.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-4-chloro-3-(4-phenylphenyl)benzamide is sourced from PubChem (CID 11705340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).