N-[1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carboxamide

C23H18ClF4N3O3 — CID 17087870

IUPACN-[1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carboxamide
SMILESCC1(C)CC(=O)C2=C(C1)N(c1ccc(F)c(Cl)c1)C(=O)C2(NC(=O)c1ccncc1)C(F)(F)F
InChIInChI=1S/C23H18ClF4N3O3/c1-21(2)10-16-18(17(32)11-21)22(23(26,27)28,30-19(33)12-5-7-29-8-6-12)20(34)31(16)13-3-4-15(25)14(24)9-13/h3-9H,10-11H2,1-2H3,(H,30,33)
InChIKeyCWKICPRACFHFGK-UHFFFAOYSA-N
MW495.86 g/mol
LogP4.59
Rot. Bonds3

About N-[1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carboxamide

N-[1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carboxamide (PubChem CID 17087870) has the molecular formula C23H18ClF4N3O3 and a molecular weight of 495.86 g/mol. Its IUPAC name is N-[1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carboxamide
PubChem CID17087870
Molecular FormulaC23H18ClF4N3O3
Molecular Weight495.86 g/mol
Exact Mass495.10
IUPAC NameN-[1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carboxamide
SMILESCC1(C)CC(=O)C2=C(C1)N(c1ccc(F)c(Cl)c1)C(=O)C2(NC(=O)c1ccncc1)C(F)(F)F
InChIInChI=1S/C23H18ClF4N3O3/c1-21(2)10-16-18(17(32)11-21)22(23(26,27)28,30-19(33)12-5-7-29-8-6-12)20(34)31(16)13-3-4-15(25)14(24)9-13/h3-9H,10-11H2,1-2H3,(H,30,33)
InChIKeyCWKICPRACFHFGK-UHFFFAOYSA-N
XLogP4.59
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.86
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide
CID 42578759
3-chloro-N-[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzamide
CID 5204175
N-[(3S)-1-(4-methoxyphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide
CID 2001159
N-[(3S)-6,6-dimethyl-2,4-dioxo-1-(2-phenylethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carboxamide
CID 42578734
N-[(3S)-6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide
CID 92651732
N-[6,6-dimethyl-2,4-dioxo-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide
CID 46500693
N-[(3S)-6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide
CID 40783262
N-[(3S)-1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide
CID 7588642
2,4-dichloro-N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2S)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzamide
CID 42578725
N-[6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4,5-trimethoxybenzamide
CID 46500732
N-[1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide
CID 46500704
N-[(3R)-1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide
CID 98153396

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carboxamide (CID 17087870) is N-[1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carboxamide is CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)c(Cl)c1)C(=O)C2(NC(=O)c1ccncc1)C(F)(F)F.
What is the InChIKey of N-[1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carboxamide?
The InChIKey is CWKICPRACFHFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF4N3O3/c1-21(2)10-16-18(17(32)11-21)22(23(26,27)28,30-19(33)12-5-7-29-8-6-12)20(34)31(16)13-3-4-15(25)14(24)9-13/h3-9H,10-11H2,1-2H3,(H,30,33).
What are the key properties of N-[1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carboxamide?
N-[1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carboxamide has a molecular weight of 495.86 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 17087870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).