4-[(4-chloro-3-fluorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide

C20H16ClFN2O2 — CID 145364550

IUPAC4-[(4-chloro-3-fluorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(OCc2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C20H16ClFN2O2/c21-18-8-3-14(10-19(18)22)13-26-17-6-4-16(5-7-17)20(25)24-12-15-2-1-9-23-11-15/h1-11H,12-13H2,(H,24,25)
InChIKeyZVOWALHRHOOGCL-UHFFFAOYSA-N
MW370.81 g/mol
LogP4.38
Rot. Bonds6

About 4-[(4-chloro-3-fluorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide

4-[(4-chloro-3-fluorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 145364550) has the molecular formula C20H16ClFN2O2 and a molecular weight of 370.81 g/mol. Its IUPAC name is 4-[(4-chloro-3-fluorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(4-chloro-3-fluorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID145364550
Molecular FormulaC20H16ClFN2O2
Molecular Weight370.81 g/mol
Exact Mass370.09
IUPAC Name4-[(4-chloro-3-fluorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(OCc2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C20H16ClFN2O2/c21-18-8-3-14(10-19(18)22)13-26-17-6-4-16(5-7-17)20(25)24-12-15-2-1-9-23-11-15/h1-11H,12-13H2,(H,24,25)
InChIKeyZVOWALHRHOOGCL-UHFFFAOYSA-N
XLogP4.38
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.81
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ondelopran
CID 10457387
Hsl-IN-1
CID 132569642
6-(4-((Phenethylamino)methyl)phenoxy)nicotinamide
CID 44434058
4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 2352168
3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-{[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl}benzamide
CID 11398411
3-[2-(4-chlorophenyl)ethoxy]-4-fluoro-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052371
4-chloro-3-[2-(4-methoxyphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052493
3-[2-(2,4-dichlorophenyl)ethoxy]-4-fluoro-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396199
3-[2-(3-chlorophenyl)ethoxy]-4-fluoro-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396254
3-[2-(4-chlorophenyl)ethoxy]-4-methoxy-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396258
4-chloro-3-[2-(4-fluorophenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396287
6-(4-(3-(Benzylamino)propyl)phenoxy)nicotinamide
CID 44434946

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3-fluorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-[(4-chloro-3-fluorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide (CID 145364550) is 4-[(4-chloro-3-fluorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[(4-chloro-3-fluorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-[(4-chloro-3-fluorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide is O=C(NCc1cccnc1)c1ccc(OCc2ccc(Cl)c(F)c2)cc1.
What is the InChIKey of 4-[(4-chloro-3-fluorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is ZVOWALHRHOOGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O2/c21-18-8-3-14(10-19(18)22)13-26-17-6-4-16(5-7-17)20(25)24-12-15-2-1-9-23-11-15/h1-11H,12-13H2,(H,24,25).
What are the key properties of 4-[(4-chloro-3-fluorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide?
4-[(4-chloro-3-fluorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 370.81 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3-fluorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 145364550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).