N-[(3,5-dichlorophenyl)methyl]-4-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)benzamide

C26H19Cl2FN2O2 — CID 168853732

IUPACN-[(3,5-dichlorophenyl)methyl]-4-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(c1ccc(Oc2ccc(F)cc2)cc1)N(Cc1cccnc1)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C26H19Cl2FN2O2/c27-21-12-19(13-22(28)14-21)17-31(16-18-2-1-11-30-15-18)26(32)20-3-7-24(8-4-20)33-25-9-5-23(29)6-10-25/h1-15H,16-17H2
InChIKeyMOVNSWKRJPEROR-UHFFFAOYSA-N
MW481.35 g/mol
LogP7.16
Rot. Bonds7

About N-[(3,5-dichlorophenyl)methyl]-4-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)benzamide

N-[(3,5-dichlorophenyl)methyl]-4-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 168853732) has the molecular formula C26H19Cl2FN2O2 and a molecular weight of 481.35 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-4-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-4-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)benzamide
PubChem CID168853732
Molecular FormulaC26H19Cl2FN2O2
Molecular Weight481.35 g/mol
Exact Mass480.08
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-4-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(c1ccc(Oc2ccc(F)cc2)cc1)N(Cc1cccnc1)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C26H19Cl2FN2O2/c27-21-12-19(13-22(28)14-21)17-31(16-18-2-1-11-30-15-18)26(32)20-3-7-24(8-4-20)33-25-9-5-23(29)6-10-25/h1-15H,16-17H2
InChIKeyMOVNSWKRJPEROR-UHFFFAOYSA-N
XLogP7.16
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.35
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(3,5-dichlorophenyl)methyl]-4-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)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-chloro-4-[4-[[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]methyl]phenoxy]benzamide
CID 56851582
LY-2795050
CID 56851583
4-phenoxy-N-(pyridin-4-ylmethyl)benzamide
CID 2568387
4-(4-methylphenoxy)-N-(4-pyridinylmethyl)benzenecarboxamide
CID 4358655
6-[2-Chloro-4-[2-[(3-fluorophenyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68747847
N-(6-chloro-3-pyridinyl)-4-phenoxybenzamide
CID 852620
N-[[1-[2-(2-chloroanilino)-2-oxoethyl]pyridin-1-ium-3-yl]methyl]-4-(difluoromethoxy)benzamide chloride
CID 15945115
4-(4-Fluorophenoxy)-N-(4-pyridinylmethyl)benzamide
CID 24517908
N-[2-(3-chlorophenyl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 24790676
8-Chloro-2-propyl-6-(2-pyridin-3-ylethoxy)isoquinolin-1-one
CID 53322148
8-Chloro-2-propyl-6-(3-pyridin-3-ylpropoxy)isoquinolin-1-one
CID 53323492
8-Chloro-6-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]-2-propylisoquinolin-1-one
CID 53325452

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-4-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-4-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)benzamide (CID 168853732) is N-[(3,5-dichlorophenyl)methyl]-4-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-4-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-4-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)benzamide is O=C(c1ccc(Oc2ccc(F)cc2)cc1)N(Cc1cccnc1)Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-4-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is MOVNSWKRJPEROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Cl2FN2O2/c27-21-12-19(13-22(28)14-21)17-31(16-18-2-1-11-30-15-18)26(32)20-3-7-24(8-4-20)33-25-9-5-23(29)6-10-25/h1-15H,16-17H2.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-4-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)benzamide?
N-[(3,5-dichlorophenyl)methyl]-4-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 481.35 g/mol, XLogP of 7.16, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-4-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 168853732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).