N-[2-(2,4-dichlorophenyl)-5-fluorophenyl]-2-(trifluoromethyl)pyridine-3-carboxamide

C19H10Cl2F4N2O — CID 87749675

IUPACN-[2-(2,4-dichlorophenyl)-5-fluorophenyl]-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1cc(F)ccc1-c1ccc(Cl)cc1Cl)c1cccnc1C(F)(F)F
InChIInChI=1S/C19H10Cl2F4N2O/c20-10-3-5-12(15(21)8-10)13-6-4-11(22)9-16(13)27-18(28)14-2-1-7-26-17(14)19(23,24)25/h1-9H,(H,27,28)
InChIKeyWXHIYTPDVVYHKX-UHFFFAOYSA-N
MW429.20 g/mol
LogP6.47
Rot. Bonds3

About N-[2-(2,4-dichlorophenyl)-5-fluorophenyl]-2-(trifluoromethyl)pyridine-3-carboxamide

N-[2-(2,4-dichlorophenyl)-5-fluorophenyl]-2-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 87749675) has the molecular formula C19H10Cl2F4N2O and a molecular weight of 429.20 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)-5-fluorophenyl]-2-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)-5-fluorophenyl]-2-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID87749675
Molecular FormulaC19H10Cl2F4N2O
Molecular Weight429.20 g/mol
Exact Mass428.01
IUPAC NameN-[2-(2,4-dichlorophenyl)-5-fluorophenyl]-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1cc(F)ccc1-c1ccc(Cl)cc1Cl)c1cccnc1C(F)(F)F
InChIInChI=1S/C19H10Cl2F4N2O/c20-10-3-5-12(15(21)8-10)13-6-4-11(22)9-16(13)27-18(28)14-2-1-7-26-17(14)19(23,24)25/h1-9H,(H,27,28)
InChIKeyWXHIYTPDVVYHKX-UHFFFAOYSA-N
XLogP6.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.20
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dichloro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide
CID 154754255
N-(2,4-dichlorophenyl)-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 612195
N-(4-chloro-2-fluorophenyl)-2-fluoropyridine-3-carboxamide
CID 107362716
2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 9097781
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide
CID 110863795
N-[3-[5-fluoro-2-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-yl]-2-(trifluoromethyl)pyridine-3-carboxamide
CID 138583581
2-amino-N-(5-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 62154779
2-bromo-N-(2,4-dichlorophenyl)pyridine-3-carboxamide
CID 113255485
2-(azepan-1-yl)-N-(2,5-difluorophenyl)pyridine-3-carboxamide
CID 84576375
N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide
CID 58243821
2-(trifluoromethyl)pyridine-3-carbohydrazide
CID 67037194
2,4-dichloro-N-(2-chloro-3-pyridinyl)benzamide
CID 3454315

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)-5-fluorophenyl]-2-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)-5-fluorophenyl]-2-(trifluoromethyl)pyridine-3-carboxamide (CID 87749675) is N-[2-(2,4-dichlorophenyl)-5-fluorophenyl]-2-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)-5-fluorophenyl]-2-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)-5-fluorophenyl]-2-(trifluoromethyl)pyridine-3-carboxamide is O=C(Nc1cc(F)ccc1-c1ccc(Cl)cc1Cl)c1cccnc1C(F)(F)F.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)-5-fluorophenyl]-2-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is WXHIYTPDVVYHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl2F4N2O/c20-10-3-5-12(15(21)8-10)13-6-4-11(22)9-16(13)27-18(28)14-2-1-7-26-17(14)19(23,24)25/h1-9H,(H,27,28).
What are the key properties of N-[2-(2,4-dichlorophenyl)-5-fluorophenyl]-2-(trifluoromethyl)pyridine-3-carboxamide?
N-[2-(2,4-dichlorophenyl)-5-fluorophenyl]-2-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 429.20 g/mol, XLogP of 6.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)-5-fluorophenyl]-2-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 87749675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).