N-[(2,4-dichlorophenyl)methyl]-4-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)benzamide

C26H19Cl2FN2O2 — CID 168853702

IUPACN-[(2,4-dichlorophenyl)methyl]-4-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(c1ccc(Oc2ccc(F)cc2)cc1)N(Cc1cccnc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C26H19Cl2FN2O2/c27-21-6-3-20(25(28)14-21)17-31(16-18-2-1-13-30-15-18)26(32)19-4-9-23(10-5-19)33-24-11-7-22(29)8-12-24/h1-15H,16-17H2
InChIKeyLHZRSVFYMIIUIT-UHFFFAOYSA-N
MW481.35 g/mol
LogP7.16
Rot. Bonds7

About N-[(2,4-dichlorophenyl)methyl]-4-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)benzamide

N-[(2,4-dichlorophenyl)methyl]-4-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 168853702) has the molecular formula C26H19Cl2FN2O2 and a molecular weight of 481.35 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-4-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-4-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)benzamide
PubChem CID168853702
Molecular FormulaC26H19Cl2FN2O2
Molecular Weight481.35 g/mol
Exact Mass480.08
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-4-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(c1ccc(Oc2ccc(F)cc2)cc1)N(Cc1cccnc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C26H19Cl2FN2O2/c27-21-6-3-20(25(28)14-21)17-31(16-18-2-1-13-30-15-18)26(32)19-4-9-23(10-5-19)33-24-11-7-22(29)8-12-24/h1-15H,16-17H2
InChIKeyLHZRSVFYMIIUIT-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

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Related Compounds

1-({3-[2-(2,4-Dichlorophenyl)ethoxy]-4-methoxyphenyl}carbonyl)-4-(pyridin-4-ylmethyl)piperazine
CID 10185372
3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-{[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl}benzamide
CID 11398411
1-({3-[2-(2,4-Dichlorophenyl)ethoxy]-4-ethoxyphenyl}carbonyl)-4-(pyridin-4-ylmethyl)piperazine
CID 11752638
3-[2-(2,4-dichlorophenyl)ethoxy]-4-fluoro-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396199
3-chloro-4-[4-[[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]methyl]phenoxy]benzamide
CID 56851582
LY-2795050
CID 56851583
1-({3-[2-(2,4-Dichlorophenyl)ethoxy]-4-methoxyphenyl}carbonyl)-4-(pyridin-2-ylmethyl)piperazine
CID 11237358
1-({3-[2-(2,4-Dichlorophenyl)ethoxy]phenyl}carbonyl)-4-(pyridin-4-ylmethyl)piperazine
CID 11271356
1-({3-[2-(2,4-Dichlorophenyl)ethoxy]-4-methoxyphenyl}carbonyl)-4-(pyridin-4-yl)piperazine
CID 11329232
4-phenoxy-N-(pyridin-4-ylmethyl)benzamide
CID 2568387
N-(6-chloro-3-pyridinyl)-4-phenoxybenzamide
CID 852620
(2Z)-3-(4-chlorophenyl)-2-[(4-methoxyphenyl)formamido]-N-[(pyridin-4-yl)methyl]prop-2-enamide
CID 1954752

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)benzamide (CID 168853702) is N-[(2,4-dichlorophenyl)methyl]-4-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-4-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-4-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)benzamide is O=C(c1ccc(Oc2ccc(F)cc2)cc1)N(Cc1cccnc1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-4-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is LHZRSVFYMIIUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Cl2FN2O2/c27-21-6-3-20(25(28)14-21)17-31(16-18-2-1-13-30-15-18)26(32)19-4-9-23(10-5-19)33-24-11-7-22(29)8-12-24/h1-15H,16-17H2.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-4-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)benzamide?
N-[(2,4-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-[(2,4-dichlorophenyl)methyl]-4-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 168853702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).