4-[4-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]-2-methylbenzamide

C20H16ClFN2O2 — CID 166793626

IUPAC4-[4-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]-2-methylbenzamide
SMILESCc1cc(-c2cc(COc3ccc(Cl)c(F)c3)ccn2)ccc1C(N)=O
InChIInChI=1S/C20H16ClFN2O2/c1-12-8-14(2-4-16(12)20(23)25)19-9-13(6-7-24-19)11-26-15-3-5-17(21)18(22)10-15/h2-10H,11H2,1H3,(H2,23,25)
InChIKeyJDQNKJMRSPGTAW-UHFFFAOYSA-N
MW370.81 g/mol
LogP4.53
Rot. Bonds5

About 4-[4-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]-2-methylbenzamide

4-[4-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]-2-methylbenzamide (PubChem CID 166793626) has the molecular formula C20H16ClFN2O2 and a molecular weight of 370.81 g/mol. Its IUPAC name is 4-[4-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]-2-methylbenzamide.

Molecular Properties

Compound Name4-[4-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]-2-methylbenzamide
PubChem CID166793626
Molecular FormulaC20H16ClFN2O2
Molecular Weight370.81 g/mol
Exact Mass370.09
IUPAC Name4-[4-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]-2-methylbenzamide
SMILESCc1cc(-c2cc(COc3ccc(Cl)c(F)c3)ccn2)ccc1C(N)=O
InChIInChI=1S/C20H16ClFN2O2/c1-12-8-14(2-4-16(12)20(23)25)19-9-13(6-7-24-19)11-26-15-3-5-17(21)18(22)10-15/h2-10H,11H2,1H3,(H2,23,25)
InChIKeyJDQNKJMRSPGTAW-UHFFFAOYSA-N
XLogP4.53
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.81
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[4-[(4-propanoylphenoxy)methyl]-2-pyridinyl]benzamide
CID 166793604
4-[4-[[3-(difluoromethyl)phenoxy]methyl]-2-pyridinyl]-2-methylbenzamide
CID 166793682
[2-(4-carbamoyl-3-methylphenyl)-4-pyridinyl]methyl acetate
CID 166793684
4-[4-[(4-chlorophenoxy)methyl]-2-pyridinyl]-N-iodo-2-methylbenzamide
CID 170054875
4-[4-[(3,4-difluoro-5-methoxyphenyl)methyl]-2-pyridinyl]-2-methylbenzamide
CID 166100431
4-[4-(2,3-dihydro-1-benzofuran-5-yloxymethyl)-2-pyridinyl]-2-methylbenzohydrazide
CID 170055033
2-methyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]benzamide
CID 166100350
methyl 4-[(4-chloro-3-fluorophenoxy)methyl]-2-fluorobenzoate
CID 106698483
4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-methylbenzamide
CID 171537783
4-[4-(2-chloro-4-cyanophenoxy)-2-pyridinyl]-2-methylbenzamide
CID 171537831
4-[4-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]-N,2-dimethylbenzamide
CID 170054886
methyl 2-(4-chloro-3-fluorophenyl)pyridine-4-carboxylate
CID 66731831

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]-2-methylbenzamide?
The IUPAC name of 4-[4-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]-2-methylbenzamide (CID 166793626) is 4-[4-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]-2-methylbenzamide.
What is the SMILES notation for 4-[4-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]-2-methylbenzamide?
The canonical SMILES for 4-[4-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]-2-methylbenzamide is Cc1cc(-c2cc(COc3ccc(Cl)c(F)c3)ccn2)ccc1C(N)=O.
What is the InChIKey of 4-[4-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]-2-methylbenzamide?
The InChIKey is JDQNKJMRSPGTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O2/c1-12-8-14(2-4-16(12)20(23)25)19-9-13(6-7-24-19)11-26-15-3-5-17(21)18(22)10-15/h2-10H,11H2,1H3,(H2,23,25).
What are the key properties of 4-[4-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]-2-methylbenzamide?
4-[4-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]-2-methylbenzamide has a molecular weight of 370.81 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-chloro-3-fluorophenoxy)methyl]-2-pyridinyl]-2-methylbenzamide is sourced from PubChem (CID 166793626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).