2-chloro-N-[2-(2,4-dichlorophenyl)-2-fluoroethyl]-5-(3-methoxyphenoxy)pyridine-4-carboxamide

C21H16Cl3FN2O3 — CID 171612315

IUPAC2-chloro-N-[2-(2,4-dichlorophenyl)-2-fluoroethyl]-5-(3-methoxyphenoxy)pyridine-4-carboxamide
SMILESCOc1cccc(Oc2cnc(Cl)cc2C(=O)NCC(F)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C21H16Cl3FN2O3/c1-29-13-3-2-4-14(8-13)30-19-11-26-20(24)9-16(19)21(28)27-10-18(25)15-6-5-12(22)7-17(15)23/h2-9,11,18H,10H2,1H3,(H,27,28)
InChIKeyORDACVIHYJUHGT-UHFFFAOYSA-N
MW469.73 g/mol
LogP6.28
Rot. Bonds7

About 2-chloro-N-[2-(2,4-dichlorophenyl)-2-fluoroethyl]-5-(3-methoxyphenoxy)pyridine-4-carboxamide

2-chloro-N-[2-(2,4-dichlorophenyl)-2-fluoroethyl]-5-(3-methoxyphenoxy)pyridine-4-carboxamide (PubChem CID 171612315) has the molecular formula C21H16Cl3FN2O3 and a molecular weight of 469.73 g/mol. Its IUPAC name is 2-chloro-N-[2-(2,4-dichlorophenyl)-2-fluoroethyl]-5-(3-methoxyphenoxy)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2,4-dichlorophenyl)-2-fluoroethyl]-5-(3-methoxyphenoxy)pyridine-4-carboxamide
PubChem CID171612315
Molecular FormulaC21H16Cl3FN2O3
Molecular Weight469.73 g/mol
Exact Mass468.02
IUPAC Name2-chloro-N-[2-(2,4-dichlorophenyl)-2-fluoroethyl]-5-(3-methoxyphenoxy)pyridine-4-carboxamide
SMILESCOc1cccc(Oc2cnc(Cl)cc2C(=O)NCC(F)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C21H16Cl3FN2O3/c1-29-13-3-2-4-14(8-13)30-19-11-26-20(24)9-16(19)21(28)27-10-18(25)15-6-5-12(22)7-17(15)23/h2-9,11,18H,10H2,1H3,(H,27,28)
InChIKeyORDACVIHYJUHGT-UHFFFAOYSA-N
XLogP6.28
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.73
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-cyano-6-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)-2-fluoroethyl]-2-methoxypyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 170633472
5-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)-2-fluoroethyl]pyrazolo[1,5-b]pyridazine-4-carboxamide
CID 170633492
2,4-dichloro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide
CID 90623355
N-[2-(2,4-dichlorophenyl)-2-fluoroethyl]-3-[3-(trifluoromethyl)phenoxy]-5,6,7,8-tetrahydrocinnoline-4-carboxamide
CID 162357587
2,5-dichloro-N-(2,2-difluoroethyl)pyridine-4-carboxamide
CID 114918745
2-chloro-N-[2-(2,4-dimethylphenyl)ethyl]-5-[3-(trifluoromethyl)phenoxy]pyridine-4-carboxamide
CID 157036898
2-bromo-5-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 78849646
1-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43412670
5-chloro-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 9088202
2-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 45001535
5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 110761198
N-[(2R)-2-(4-chloro-3-methoxyphenyl)-2-fluoroethyl]-3-(3-chlorophenoxy)cinnoline-4-carboxamide
CID 162357777

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2,4-dichlorophenyl)-2-fluoroethyl]-5-(3-methoxyphenoxy)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[2-(2,4-dichlorophenyl)-2-fluoroethyl]-5-(3-methoxyphenoxy)pyridine-4-carboxamide (CID 171612315) is 2-chloro-N-[2-(2,4-dichlorophenyl)-2-fluoroethyl]-5-(3-methoxyphenoxy)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(2,4-dichlorophenyl)-2-fluoroethyl]-5-(3-methoxyphenoxy)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(2,4-dichlorophenyl)-2-fluoroethyl]-5-(3-methoxyphenoxy)pyridine-4-carboxamide is COc1cccc(Oc2cnc(Cl)cc2C(=O)NCC(F)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2-chloro-N-[2-(2,4-dichlorophenyl)-2-fluoroethyl]-5-(3-methoxyphenoxy)pyridine-4-carboxamide?
The InChIKey is ORDACVIHYJUHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl3FN2O3/c1-29-13-3-2-4-14(8-13)30-19-11-26-20(24)9-16(19)21(28)27-10-18(25)15-6-5-12(22)7-17(15)23/h2-9,11,18H,10H2,1H3,(H,27,28).
What are the key properties of 2-chloro-N-[2-(2,4-dichlorophenyl)-2-fluoroethyl]-5-(3-methoxyphenoxy)pyridine-4-carboxamide?
2-chloro-N-[2-(2,4-dichlorophenyl)-2-fluoroethyl]-5-(3-methoxyphenoxy)pyridine-4-carboxamide has a molecular weight of 469.73 g/mol, XLogP of 6.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2,4-dichlorophenyl)-2-fluoroethyl]-5-(3-methoxyphenoxy)pyridine-4-carboxamide is sourced from PubChem (CID 171612315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).