2-phenylmethoxy-N-(3-phenylphenyl)-5-pyridin-4-ylbenzamide

C31H24N2O2 — CID 141273620

IUPAC2-phenylmethoxy-N-(3-phenylphenyl)-5-pyridin-4-ylbenzamide
SMILESO=C(Nc1cccc(-c2ccccc2)c1)c1cc(-c2ccncc2)ccc1OCc1ccccc1
InChIInChI=1S/C31H24N2O2/c34-31(33-28-13-7-12-26(20-28)24-10-5-2-6-11-24)29-21-27(25-16-18-32-19-17-25)14-15-30(29)35-22-23-8-3-1-4-9-23/h1-21H,22H2,(H,33,34)
InChIKeyPULNVIQABBANQM-UHFFFAOYSA-N
MW456.55 g/mol
LogP7.25
Rot. Bonds7

About 2-phenylmethoxy-N-(3-phenylphenyl)-5-pyridin-4-ylbenzamide

2-phenylmethoxy-N-(3-phenylphenyl)-5-pyridin-4-ylbenzamide (PubChem CID 141273620) has the molecular formula C31H24N2O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is 2-phenylmethoxy-N-(3-phenylphenyl)-5-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name2-phenylmethoxy-N-(3-phenylphenyl)-5-pyridin-4-ylbenzamide
PubChem CID141273620
Molecular FormulaC31H24N2O2
Molecular Weight456.55 g/mol
Exact Mass456.18
IUPAC Name2-phenylmethoxy-N-(3-phenylphenyl)-5-pyridin-4-ylbenzamide
SMILESO=C(Nc1cccc(-c2ccccc2)c1)c1cc(-c2ccncc2)ccc1OCc1ccccc1
InChIInChI=1S/C31H24N2O2/c34-31(33-28-13-7-12-26(20-28)24-10-5-2-6-11-24)29-21-27(25-16-18-32-19-17-25)14-15-30(29)35-22-23-8-3-1-4-9-23/h1-21H,22H2,(H,33,34)
InChIKeyPULNVIQABBANQM-UHFFFAOYSA-N
XLogP7.25
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.55
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenylmethoxy-N,4-dipyridin-4-ylbenzamide
CID 135143390
5-(2-bromoethoxy)-2-phenylmethoxy-N-(3-phenylphenyl)benzamide
CID 141273565
2-[(5-bromo-2-phenylmethoxybenzoyl)amino]-4-phenylbenzoic acid
CID 67456646
N-(3-pyridin-4-ylphenyl)pyridine-4-carboxamide
CID 166320523
2,5-bis[(3-fluorophenyl)methoxy]-N-phenylbenzamide
CID 141216434
5-(4-fluorophenyl)-2-phenylmethoxybenzoic acid
CID 154202317
2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]benzoic acid
CID 68869462
2-methoxy-5-phenyl-N-(pyridin-4-ylmethyl)benzamide
CID 110410764
2-phenylmethoxy-5-pyridin-4-ylbenzonitrile
CID 69398181
2-[(3-methylphenyl)methoxy]-N-phenylbenzamide
CID 18280998
N-(3-ethylphenyl)-2,4-bis(phenylmethoxy)benzamide
CID 69249899
N-(3-fluorophenyl)-2,4-bis(phenylmethoxy)benzamide
CID 69250543

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-N-(3-phenylphenyl)-5-pyridin-4-ylbenzamide?
The IUPAC name of 2-phenylmethoxy-N-(3-phenylphenyl)-5-pyridin-4-ylbenzamide (CID 141273620) is 2-phenylmethoxy-N-(3-phenylphenyl)-5-pyridin-4-ylbenzamide.
What is the SMILES notation for 2-phenylmethoxy-N-(3-phenylphenyl)-5-pyridin-4-ylbenzamide?
The canonical SMILES for 2-phenylmethoxy-N-(3-phenylphenyl)-5-pyridin-4-ylbenzamide is O=C(Nc1cccc(-c2ccccc2)c1)c1cc(-c2ccncc2)ccc1OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxy-N-(3-phenylphenyl)-5-pyridin-4-ylbenzamide?
The InChIKey is PULNVIQABBANQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N2O2/c34-31(33-28-13-7-12-26(20-28)24-10-5-2-6-11-24)29-21-27(25-16-18-32-19-17-25)14-15-30(29)35-22-23-8-3-1-4-9-23/h1-21H,22H2,(H,33,34).
What are the key properties of 2-phenylmethoxy-N-(3-phenylphenyl)-5-pyridin-4-ylbenzamide?
2-phenylmethoxy-N-(3-phenylphenyl)-5-pyridin-4-ylbenzamide has a molecular weight of 456.55 g/mol, XLogP of 7.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-N-(3-phenylphenyl)-5-pyridin-4-ylbenzamide is sourced from PubChem (CID 141273620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).