N-[(2,4-dichlorophenyl)methyl]-5-[3-(fluoromethoxy)phenyl]pyridine-3-carboxamide

C20H15Cl2FN2O2 — CID 143530854

IUPACN-[(2,4-dichlorophenyl)methyl]-5-[3-(fluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)c1cncc(-c2cccc(OCF)c2)c1
InChIInChI=1S/C20H15Cl2FN2O2/c21-17-5-4-14(19(22)8-17)11-25-20(26)16-6-15(9-24-10-16)13-2-1-3-18(7-13)27-12-23/h1-10H,11-12H2,(H,25,26)
InChIKeyZBNJJUSVIMKDHQ-UHFFFAOYSA-N
MW405.26 g/mol
LogP5.29
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methyl]-5-[3-(fluoromethoxy)phenyl]pyridine-3-carboxamide

N-[(2,4-dichlorophenyl)methyl]-5-[3-(fluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 143530854) has the molecular formula C20H15Cl2FN2O2 and a molecular weight of 405.26 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-5-[3-(fluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-5-[3-(fluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID143530854
Molecular FormulaC20H15Cl2FN2O2
Molecular Weight405.26 g/mol
Exact Mass404.05
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-5-[3-(fluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)c1cncc(-c2cccc(OCF)c2)c1
InChIInChI=1S/C20H15Cl2FN2O2/c21-17-5-4-14(19(22)8-17)11-25-20(26)16-6-15(9-24-10-16)13-2-1-3-18(7-13)27-12-23/h1-10H,11-12H2,(H,25,26)
InChIKeyZBNJJUSVIMKDHQ-UHFFFAOYSA-N
XLogP5.29
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.26
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-acetamidophenyl)-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide
CID 50846337
N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 17472910
3-acetamido-N-[(2,4-dichlorophenyl)methyl]benzamide
CID 17397210
N-benzyl-5-(3-fluorophenyl)pyridine-3-carboxamide
CID 42845762
3-N-[2-(2,4-dichlorophenyl)ethyl]-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101412
5-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide
CID 71730774
N-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 24742160
2-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46066676
N-[(2,4-dichlorophenyl)methyl]-2-(3-methylsulfanylphenoxy)pyridine-4-carboxamide
CID 143531022
5-chloro-N-[(2,4-dichlorophenyl)methyl]pyrazine-2-carboxamide
CID 71655570
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803716
N-[(2-chlorophenyl)methyl]-3-quinolin-3-ylbenzamide
CID 46389949

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-5-[3-(fluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-5-[3-(fluoromethoxy)phenyl]pyridine-3-carboxamide (CID 143530854) is N-[(2,4-dichlorophenyl)methyl]-5-[3-(fluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-5-[3-(fluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-5-[3-(fluoromethoxy)phenyl]pyridine-3-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)c1cncc(-c2cccc(OCF)c2)c1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-5-[3-(fluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is ZBNJJUSVIMKDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2FN2O2/c21-17-5-4-14(19(22)8-17)11-25-20(26)16-6-15(9-24-10-16)13-2-1-3-18(7-13)27-12-23/h1-10H,11-12H2,(H,25,26).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-5-[3-(fluoromethoxy)phenyl]pyridine-3-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-5-[3-(fluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 405.26 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-5-[3-(fluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 143530854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).