4-phenyl-N-pyridin-4-ylbenzamide;hydrochloride

C18H15ClN2O — CID 163329221

IUPAC4-phenyl-N-pyridin-4-ylbenzamide;hydrochloride
SMILESCl.O=C(Nc1ccncc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H14N2O.ClH/c21-18(20-17-10-12-19-13-11-17)16-8-6-15(7-9-16)14-4-2-1-3-5-14;/h1-13H,(H,19,20,21);1H
InChIKeyXMJZRJLQFUPTMZ-UHFFFAOYSA-N
MW310.78 g/mol
LogP4.42
Rot. Bonds3

About 4-phenyl-N-pyridin-4-ylbenzamide;hydrochloride

4-phenyl-N-pyridin-4-ylbenzamide;hydrochloride (PubChem CID 163329221) has the molecular formula C18H15ClN2O and a molecular weight of 310.78 g/mol. Its IUPAC name is 4-phenyl-N-pyridin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-phenyl-N-pyridin-4-ylbenzamide;hydrochloride
PubChem CID163329221
Molecular FormulaC18H15ClN2O
Molecular Weight310.78 g/mol
Exact Mass310.09
IUPAC Name4-phenyl-N-pyridin-4-ylbenzamide;hydrochloride
SMILESCl.O=C(Nc1ccncc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H14N2O.ClH/c21-18(20-17-10-12-19-13-11-17)16-8-6-15(7-9-16)14-4-2-1-3-5-14;/h1-13H,(H,19,20,21);1H
InChIKeyXMJZRJLQFUPTMZ-UHFFFAOYSA-N
XLogP4.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis(4-pyridin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 171423296
4-(4-fluorophenyl)-N-pyridin-4-ylbenzamide
CID 135137810
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
N-(4-anilinophenyl)-4-phenylbenzamide
CID 3363408
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241
4-[1-amino-2-[(4-phenylphenyl)carbamoylamino]ethyl]-N-pyridin-4-ylbenzamide
CID 15982238
N-(4-bromophenyl)-4-phenylbenzamide
CID 1081912
4-[1-amino-2-[[2-(4-phenylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67536747
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
N-(3-pyridin-4-ylphenyl)pyridine-4-carboxamide
CID 166320523
2-benzamido-N-pyridin-4-ylbenzamide
CID 730926
N-(4-pyrimidin-5-ylphenyl)pyridine-4-carboxamide
CID 110461708

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-pyridin-4-ylbenzamide;hydrochloride?
The IUPAC name of 4-phenyl-N-pyridin-4-ylbenzamide;hydrochloride (CID 163329221) is 4-phenyl-N-pyridin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-phenyl-N-pyridin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 4-phenyl-N-pyridin-4-ylbenzamide;hydrochloride is Cl.O=C(Nc1ccncc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-pyridin-4-ylbenzamide;hydrochloride?
The InChIKey is XMJZRJLQFUPTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O.ClH/c21-18(20-17-10-12-19-13-11-17)16-8-6-15(7-9-16)14-4-2-1-3-5-14;/h1-13H,(H,19,20,21);1H.
What are the key properties of 4-phenyl-N-pyridin-4-ylbenzamide;hydrochloride?
4-phenyl-N-pyridin-4-ylbenzamide;hydrochloride has a molecular weight of 310.78 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-pyridin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 163329221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).