7,8-dichloro-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-propan-2-ylindeno[1,2-b]pyridin-5-one

C29H18Cl2F5NO — CID 15389303

IUPAC7,8-dichloro-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-propan-2-ylindeno[1,2-b]pyridin-5-one
SMILESCC(C)c1nc2c(c(-c3ccc(F)cc3)c1C(F)c1ccc(C(F)(F)F)cc1)C(=O)c1cc(Cl)c(Cl)cc1-2
InChIInChI=1S/C29H18Cl2F5NO/c1-13(2)26-23(25(33)15-3-7-16(8-4-15)29(34,35)36)22(14-5-9-17(32)10-6-14)24-27(37-26)18-11-20(30)21(31)12-19(18)28(24)38/h3-13,25H,1-2H3
InChIKeyHNOBPDFDCJUHFI-UHFFFAOYSA-N
MW562.37 g/mol
LogP9.61
Rot. Bonds4

About 7,8-dichloro-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-propan-2-ylindeno[1,2-b]pyridin-5-one

7,8-dichloro-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-propan-2-ylindeno[1,2-b]pyridin-5-one (PubChem CID 15389303) has the molecular formula C29H18Cl2F5NO and a molecular weight of 562.37 g/mol. Its IUPAC name is 7,8-dichloro-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-propan-2-ylindeno[1,2-b]pyridin-5-one.

Molecular Properties

Compound Name7,8-dichloro-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-propan-2-ylindeno[1,2-b]pyridin-5-one
PubChem CID15389303
Molecular FormulaC29H18Cl2F5NO
Molecular Weight562.37 g/mol
Exact Mass561.07
IUPAC Name7,8-dichloro-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-propan-2-ylindeno[1,2-b]pyridin-5-one
SMILESCC(C)c1nc2c(c(-c3ccc(F)cc3)c1C(F)c1ccc(C(F)(F)F)cc1)C(=O)c1cc(Cl)c(Cl)cc1-2
InChIInChI=1S/C29H18Cl2F5NO/c1-13(2)26-23(25(33)15-3-7-16(8-4-15)29(34,35)36)22(14-5-9-17(32)10-6-14)24-27(37-26)18-11-20(30)21(31)12-19(18)28(24)38/h3-13,25H,1-2H3
InChIKeyHNOBPDFDCJUHFI-UHFFFAOYSA-N
XLogP9.61
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.37
LogP ≤ 59.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}

Analyze 7,8-dichloro-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-propan-2-ylindeno[1,2-b]pyridin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-6-methyl-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-ol
CID 54129095
[4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-yl] propanoate
CID 59950749
3-propan-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyridazin-6-one
CID 132587754
(4S)-5-(4-fluorophenyl)-6-[(S)-fluoro-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethyl-7-propan-2-yl-3,4-dihydrochromen-4-ol
CID 58003006
8-(4-fluorophenyl)-7-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-1-methoxy-3,3-dimethyl-6-propan-2-yl-2,4-dihydro-1H-naphthalene
CID 21133259
2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-5-ol
CID 15391917
2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclopropane]-5-ol
CID 54156301
2,7-dihydroxy-3,6-bis[4-(trifluoromethyl)phenyl]fluoren-9-one
CID 145313593
1,2-dichloro-4-[2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)phenyl]benzene
CID 16754543
2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-5-ol
CID 54315414
1-(3,4-dichlorophenyl)-2,4-bis(trifluoromethyl)benzene
CID 173271206
3-chloro-6-(4-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]pyridazine
CID 142779110

Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-propan-2-ylindeno[1,2-b]pyridin-5-one?
The IUPAC name of 7,8-dichloro-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-propan-2-ylindeno[1,2-b]pyridin-5-one (CID 15389303) is 7,8-dichloro-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-propan-2-ylindeno[1,2-b]pyridin-5-one.
What is the SMILES notation for 7,8-dichloro-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-propan-2-ylindeno[1,2-b]pyridin-5-one?
The canonical SMILES for 7,8-dichloro-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-propan-2-ylindeno[1,2-b]pyridin-5-one is CC(C)c1nc2c(c(-c3ccc(F)cc3)c1C(F)c1ccc(C(F)(F)F)cc1)C(=O)c1cc(Cl)c(Cl)cc1-2.
What is the InChIKey of 7,8-dichloro-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-propan-2-ylindeno[1,2-b]pyridin-5-one?
The InChIKey is HNOBPDFDCJUHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18Cl2F5NO/c1-13(2)26-23(25(33)15-3-7-16(8-4-15)29(34,35)36)22(14-5-9-17(32)10-6-14)24-27(37-26)18-11-20(30)21(31)12-19(18)28(24)38/h3-13,25H,1-2H3.
What are the key properties of 7,8-dichloro-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-propan-2-ylindeno[1,2-b]pyridin-5-one?
7,8-dichloro-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-propan-2-ylindeno[1,2-b]pyridin-5-one has a molecular weight of 562.37 g/mol, XLogP of 9.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-propan-2-ylindeno[1,2-b]pyridin-5-one is sourced from PubChem (CID 15389303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).