N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]cinnoline-4-carboxamide

C23H14ClF5N4O2 — CID 162357565

IUPACN-[2-(4-chlorophenyl)-2,2-difluoroethyl]-3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]cinnoline-4-carboxamide
SMILESO=C(NCC(F)(F)c1ccc(Cl)cc1)c1c(Oc2cncc(C(F)(F)F)c2)nnc2ccccc12
InChIInChI=1S/C23H14ClF5N4O2/c24-15-7-5-13(6-8-15)22(25,26)12-31-20(34)19-17-3-1-2-4-18(17)32-33-21(19)35-16-9-14(10-30-11-16)23(27,28)29/h1-11H,12H2,(H,31,34)
InChIKeyFMUFLIWBAYWKHW-UHFFFAOYSA-N
MW508.83 g/mol
LogP6.01
Rot. Bonds6

About N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]cinnoline-4-carboxamide

N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]cinnoline-4-carboxamide (PubChem CID 162357565) has the molecular formula C23H14ClF5N4O2 and a molecular weight of 508.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]cinnoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2,2-difluoroethyl]-3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]cinnoline-4-carboxamide
PubChem CID162357565
Molecular FormulaC23H14ClF5N4O2
Molecular Weight508.83 g/mol
Exact Mass508.07
IUPAC NameN-[2-(4-chlorophenyl)-2,2-difluoroethyl]-3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]cinnoline-4-carboxamide
SMILESO=C(NCC(F)(F)c1ccc(Cl)cc1)c1c(Oc2cncc(C(F)(F)F)c2)nnc2ccccc12
InChIInChI=1S/C23H14ClF5N4O2/c24-15-7-5-13(6-8-15)22(25,26)12-31-20(34)19-17-3-1-2-4-18(17)32-33-21(19)35-16-9-14(10-30-11-16)23(27,28)29/h1-11H,12H2,(H,31,34)
InChIKeyFMUFLIWBAYWKHW-UHFFFAOYSA-N
XLogP6.01
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.83
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]cinnoline-4-carboxamide with MolForge

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Related Compounds

3-(4-chlorophenoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cinnoline-4-carboxamide
CID 162357806
3-[3-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methoxy]cinnoline-4-carboxamide
CID 168803266
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[3-(trifluoromethyl)phenoxy]cinnoline-4-carboxamide
CID 162357606
3-chloro-N-[2-(2,4-dimethylphenyl)-2,2-difluoroethyl]cinnoline-4-carboxamide
CID 162357511
N-[(2R)-2-(4-chloro-3-methoxyphenyl)-2-fluoroethyl]-3-(3-chlorophenoxy)cinnoline-4-carboxamide
CID 162357777
N-(2-cyclopropyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-3-[3-(trifluoromethyl)phenoxy]cinnoline-4-carboxamide
CID 162357615
4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenol
CID 167499349
N-[2-(4-bromo-2-chlorophenyl)-2,2-difluoroethyl]-3-[3-(trifluoromethyl)phenoxy]-7,8-dihydro-5H-pyrano[4,3-c]pyridazine-4-carboxamide
CID 162357660
N-[(2R)-2-(2-chloro-4-methylphenyl)-2-fluoroethyl]-3-[3-(trifluoromethyl)phenoxy]quinoline-4-carboxamide
CID 162357631
methyl 3-[3-(trifluoromethyl)phenoxy]quinoline-4-carboxylate
CID 162357650
3,5-difluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]benzaldehyde
CID 86728329
4-chloro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide
CID 89266060

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]cinnoline-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]cinnoline-4-carboxamide (CID 162357565) is N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]cinnoline-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]cinnoline-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]cinnoline-4-carboxamide is O=C(NCC(F)(F)c1ccc(Cl)cc1)c1c(Oc2cncc(C(F)(F)F)c2)nnc2ccccc12.
What is the InChIKey of N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]cinnoline-4-carboxamide?
The InChIKey is FMUFLIWBAYWKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClF5N4O2/c24-15-7-5-13(6-8-15)22(25,26)12-31-20(34)19-17-3-1-2-4-18(17)32-33-21(19)35-16-9-14(10-30-11-16)23(27,28)29/h1-11H,12H2,(H,31,34).
What are the key properties of N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]cinnoline-4-carboxamide?
N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]cinnoline-4-carboxamide has a molecular weight of 508.83 g/mol, XLogP of 6.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]cinnoline-4-carboxamide is sourced from PubChem (CID 162357565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).