5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-propan-2-ylpyridine-3-carboxamide

C28H21Cl3F2N2O2 — CID 10196577

IUPAC5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C28H21Cl3F2N2O2/c1-15(2)34-27(36)22-13-21(17-4-6-18(29)7-5-17)26(20-9-8-19(30)12-23(20)31)35-28(22)37-14-16-3-10-24(32)25(33)11-16/h3-13,15H,14H2,1-2H3,(H,34,36)
InChIKeyLMEABUVWBQNILW-UHFFFAOYSA-N
MW561.84 g/mol
LogP8.37
Rot. Bonds7

About 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-propan-2-ylpyridine-3-carboxamide

5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 10196577) has the molecular formula C28H21Cl3F2N2O2 and a molecular weight of 561.84 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-propan-2-ylpyridine-3-carboxamide
PubChem CID10196577
Molecular FormulaC28H21Cl3F2N2O2
Molecular Weight561.84 g/mol
Exact Mass560.06
IUPAC Name5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C28H21Cl3F2N2O2/c1-15(2)34-27(36)22-13-21(17-4-6-18(29)7-5-17)26(20-9-8-19(30)12-23(20)31)35-28(22)37-14-16-3-10-24(32)25(33)11-16/h3-13,15H,14H2,1-2H3,(H,34,36)
InChIKeyLMEABUVWBQNILW-UHFFFAOYSA-N
XLogP8.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.84
LogP ≤ 58.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-propan-2-ylpyridine-3-carboxamide (CID 10196577) is 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-propan-2-ylpyridine-3-carboxamide is CC(C)NC(=O)c1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1OCc1ccc(F)c(F)c1.
What is the InChIKey of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is LMEABUVWBQNILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21Cl3F2N2O2/c1-15(2)34-27(36)22-13-21(17-4-6-18(29)7-5-17)26(20-9-8-19(30)12-23(20)31)35-28(22)37-14-16-3-10-24(32)25(33)11-16/h3-13,15H,14H2,1-2H3,(H,34,36).
What are the key properties of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-propan-2-ylpyridine-3-carboxamide?
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 561.84 g/mol, XLogP of 8.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-[(3,4-difluorophenyl)methoxy]-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 10196577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).