3-[(4-cyanophenoxy)methyl]-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]benzamide

C27H25FN2O3 — CID 86954115

IUPAC3-[(4-cyanophenoxy)methyl]-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]benzamide
SMILESN#Cc1ccc(OCc2cccc(C(=O)NCC3(c4cccc(F)c4)CCOCC3)c2)cc1
InChIInChI=1S/C27H25FN2O3/c28-24-6-2-5-23(16-24)27(11-13-32-14-12-27)19-30-26(31)22-4-1-3-21(15-22)18-33-25-9-7-20(17-29)8-10-25/h1-10,15-16H,11-14,18-19H2,(H,30,31)
InChIKeyZHLWJCOZTSBXSO-UHFFFAOYSA-N
MW444.51 g/mol
LogP4.75
Rot. Bonds7

About 3-[(4-cyanophenoxy)methyl]-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]benzamide

3-[(4-cyanophenoxy)methyl]-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]benzamide (PubChem CID 86954115) has the molecular formula C27H25FN2O3 and a molecular weight of 444.51 g/mol. Its IUPAC name is 3-[(4-cyanophenoxy)methyl]-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[(4-cyanophenoxy)methyl]-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]benzamide
PubChem CID86954115
Molecular FormulaC27H25FN2O3
Molecular Weight444.51 g/mol
Exact Mass444.18
IUPAC Name3-[(4-cyanophenoxy)methyl]-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]benzamide
SMILESN#Cc1ccc(OCc2cccc(C(=O)NCC3(c4cccc(F)c4)CCOCC3)c2)cc1
InChIInChI=1S/C27H25FN2O3/c28-24-6-2-5-23(16-24)27(11-13-32-14-12-27)19-30-26(31)22-4-1-3-21(15-22)18-33-25-9-7-20(17-29)8-10-25/h1-10,15-16H,11-14,18-19H2,(H,30,31)
InChIKeyZHLWJCOZTSBXSO-UHFFFAOYSA-N
XLogP4.75
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(4-cyanophenoxy)methyl]-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-cyanophenoxy)methyl]-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111539373
3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450060
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55888749
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-fluorobenzamide
CID 112503018
3-[[[4-(3-fluorophenyl)oxan-4-yl]methylamino]methyl]benzonitrile
CID 47627698
1-(3-cyanophenyl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]methanesulfonamide
CID 86839207
2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 110739567
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide
CID 47071322
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide
CID 52737912
3-fluoro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide
CID 42265593
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
2-amino-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1,3-benzothiazole-5-carboxamide
CID 155495836

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyanophenoxy)methyl]-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]benzamide?
The IUPAC name of 3-[(4-cyanophenoxy)methyl]-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]benzamide (CID 86954115) is 3-[(4-cyanophenoxy)methyl]-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]benzamide.
What is the SMILES notation for 3-[(4-cyanophenoxy)methyl]-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]benzamide?
The canonical SMILES for 3-[(4-cyanophenoxy)methyl]-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]benzamide is N#Cc1ccc(OCc2cccc(C(=O)NCC3(c4cccc(F)c4)CCOCC3)c2)cc1.
What is the InChIKey of 3-[(4-cyanophenoxy)methyl]-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]benzamide?
The InChIKey is ZHLWJCOZTSBXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN2O3/c28-24-6-2-5-23(16-24)27(11-13-32-14-12-27)19-30-26(31)22-4-1-3-21(15-22)18-33-25-9-7-20(17-29)8-10-25/h1-10,15-16H,11-14,18-19H2,(H,30,31).
What are the key properties of 3-[(4-cyanophenoxy)methyl]-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]benzamide?
3-[(4-cyanophenoxy)methyl]-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]benzamide has a molecular weight of 444.51 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyanophenoxy)methyl]-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]benzamide is sourced from PubChem (CID 86954115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).