4-[[4-(4-cyanophenyl)phenoxy]methyl]-N-phenylbenzamide

C27H20N2O2 — CID 7670252

IUPAC4-[[4-(4-cyanophenyl)phenoxy]methyl]-N-phenylbenzamide
SMILESN#Cc1ccc(-c2ccc(OCc3ccc(C(=O)Nc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C27H20N2O2/c28-18-20-6-10-22(11-7-20)23-14-16-26(17-15-23)31-19-21-8-12-24(13-9-21)27(30)29-25-4-2-1-3-5-25/h1-17H,19H2,(H,29,30)
InChIKeyHRDRUOFAPWZMCX-UHFFFAOYSA-N
MW404.47 g/mol
LogP6.06
Rot. Bonds6

About 4-[[4-(4-cyanophenyl)phenoxy]methyl]-N-phenylbenzamide

4-[[4-(4-cyanophenyl)phenoxy]methyl]-N-phenylbenzamide (PubChem CID 7670252) has the molecular formula C27H20N2O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 4-[[4-(4-cyanophenyl)phenoxy]methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[[4-(4-cyanophenyl)phenoxy]methyl]-N-phenylbenzamide
PubChem CID7670252
Molecular FormulaC27H20N2O2
Molecular Weight404.47 g/mol
Exact Mass404.15
IUPAC Name4-[[4-(4-cyanophenyl)phenoxy]methyl]-N-phenylbenzamide
SMILESN#Cc1ccc(-c2ccc(OCc3ccc(C(=O)Nc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C27H20N2O2/c28-18-20-6-10-22(11-7-20)23-14-16-26(17-15-23)31-19-21-8-12-24(13-9-21)27(30)29-25-4-2-1-3-5-25/h1-17H,19H2,(H,29,30)
InChIKeyHRDRUOFAPWZMCX-UHFFFAOYSA-N
XLogP6.06
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-(4-phenylmethoxyphenyl)benzamide
CID 40610982
4-[(4-phenylphenoxy)methyl]benzonitrile
CID 7919523
4-[(2-chloro-4-cyanophenoxy)methyl]-N-phenylbenzamide
CID 8977230
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
4-[(4-phenylphenoxy)methyl]benzohydrazide
CID 2368822
4-[(4-cyanophenoxy)methyl]benzamide
CID 11831905
4-phenyl-N-[(4-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 4947562
N-(4-ethylphenyl)-4-(phenoxymethyl)benzamide
CID 2195613
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-cyanobenzoate
CID 7717087
N-(4-cyanophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxy]benzamide
CID 90241335
4-(phenoxymethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7957132
(4-cyanophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate
CID 2401956

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-cyanophenyl)phenoxy]methyl]-N-phenylbenzamide?
The IUPAC name of 4-[[4-(4-cyanophenyl)phenoxy]methyl]-N-phenylbenzamide (CID 7670252) is 4-[[4-(4-cyanophenyl)phenoxy]methyl]-N-phenylbenzamide.
What is the SMILES notation for 4-[[4-(4-cyanophenyl)phenoxy]methyl]-N-phenylbenzamide?
The canonical SMILES for 4-[[4-(4-cyanophenyl)phenoxy]methyl]-N-phenylbenzamide is N#Cc1ccc(-c2ccc(OCc3ccc(C(=O)Nc4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 4-[[4-(4-cyanophenyl)phenoxy]methyl]-N-phenylbenzamide?
The InChIKey is HRDRUOFAPWZMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2O2/c28-18-20-6-10-22(11-7-20)23-14-16-26(17-15-23)31-19-21-8-12-24(13-9-21)27(30)29-25-4-2-1-3-5-25/h1-17H,19H2,(H,29,30).
What are the key properties of 4-[[4-(4-cyanophenyl)phenoxy]methyl]-N-phenylbenzamide?
4-[[4-(4-cyanophenyl)phenoxy]methyl]-N-phenylbenzamide has a molecular weight of 404.47 g/mol, XLogP of 6.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-cyanophenyl)phenoxy]methyl]-N-phenylbenzamide is sourced from PubChem (CID 7670252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).