N-(3-chloro-4-cyanophenyl)-3-(5-fluoro-6-phenyl-2,3-dihydroindol-1-yl)-2-hydroxy-2-methylpropanamide

C25H21ClFN3O2 — CID 122640086

IUPACN-(3-chloro-4-cyanophenyl)-3-(5-fluoro-6-phenyl-2,3-dihydroindol-1-yl)-2-hydroxy-2-methylpropanamide
SMILESCC(O)(CN1CCc2cc(F)c(-c3ccccc3)cc21)C(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C25H21ClFN3O2/c1-25(32,24(31)29-19-8-7-18(14-28)21(26)12-19)15-30-10-9-17-11-22(27)20(13-23(17)30)16-5-3-2-4-6-16/h2-8,11-13,32H,9-10,15H2,1H3,(H,29,31)
InChIKeyZQBQKENPYVJDHY-UHFFFAOYSA-N
MW449.91 g/mol
LogP4.77
Rot. Bonds5

About N-(3-chloro-4-cyanophenyl)-3-(5-fluoro-6-phenyl-2,3-dihydroindol-1-yl)-2-hydroxy-2-methylpropanamide

N-(3-chloro-4-cyanophenyl)-3-(5-fluoro-6-phenyl-2,3-dihydroindol-1-yl)-2-hydroxy-2-methylpropanamide (PubChem CID 122640086) has the molecular formula C25H21ClFN3O2 and a molecular weight of 449.91 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-3-(5-fluoro-6-phenyl-2,3-dihydroindol-1-yl)-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-3-(5-fluoro-6-phenyl-2,3-dihydroindol-1-yl)-2-hydroxy-2-methylpropanamide
PubChem CID122640086
Molecular FormulaC25H21ClFN3O2
Molecular Weight449.91 g/mol
Exact Mass449.13
IUPAC NameN-(3-chloro-4-cyanophenyl)-3-(5-fluoro-6-phenyl-2,3-dihydroindol-1-yl)-2-hydroxy-2-methylpropanamide
SMILESCC(O)(CN1CCc2cc(F)c(-c3ccccc3)cc21)C(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C25H21ClFN3O2/c1-25(32,24(31)29-19-8-7-18(14-28)21(26)12-19)15-30-10-9-17-11-22(27)20(13-23(17)30)16-5-3-2-4-6-16/h2-8,11-13,32H,9-10,15H2,1H3,(H,29,31)
InChIKeyZQBQKENPYVJDHY-UHFFFAOYSA-N
XLogP4.77
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.91
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3-chloro-4-cyanophenyl)-3-(5-fluoro-6-phenylindol-1-yl)-2-hydroxy-2-methylpropanamide
CID 122640109
(2S)-N-(3-chloro-4-cyanophenyl)-3-(7-fluoroindol-1-yl)-2-hydroxy-2-methylpropanamide
CID 122640160
N-(3-chloro-4-cyanophenyl)-3-(6-fluoroindol-1-yl)-2-hydroxy-2-methylpropanamide
CID 122640054
(2S)-N-(3-chloro-4-cyanophenyl)-3-(4-fluoro-1H-pyrazol-5-yl)-2-hydroxy-2-methylpropanamide
CID 166772647
N-(3-chloro-4-cyanophenyl)-2-hydroxy-2-(4-methoxyphenyl)-2-phenylacetamide
CID 71027238
(2R)-N-(3-chloro-4-cyanophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 9248461
N-(3-chloro-4-cyanophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 2086316
acetylene;(2S)-3-(5-chloro-6-fluoro-2,3-dihydroindol-1-yl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 145175325
(2S)-3-(4-cyano-2-phenylanilino)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
CID 122650647
N-(3-chloro-4-fluorophenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108969217
N-(3-chloro-4-cyanophenyl)-4-phenylbenzamide
CID 2113579
3-amino-N-(3-chloro-4-cyanophenyl)-2,2,3-trimethylbutanamide
CID 65264787

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-3-(5-fluoro-6-phenyl-2,3-dihydroindol-1-yl)-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-3-(5-fluoro-6-phenyl-2,3-dihydroindol-1-yl)-2-hydroxy-2-methylpropanamide (CID 122640086) is N-(3-chloro-4-cyanophenyl)-3-(5-fluoro-6-phenyl-2,3-dihydroindol-1-yl)-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-3-(5-fluoro-6-phenyl-2,3-dihydroindol-1-yl)-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-3-(5-fluoro-6-phenyl-2,3-dihydroindol-1-yl)-2-hydroxy-2-methylpropanamide is CC(O)(CN1CCc2cc(F)c(-c3ccccc3)cc21)C(=O)Nc1ccc(C#N)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-3-(5-fluoro-6-phenyl-2,3-dihydroindol-1-yl)-2-hydroxy-2-methylpropanamide?
The InChIKey is ZQBQKENPYVJDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClFN3O2/c1-25(32,24(31)29-19-8-7-18(14-28)21(26)12-19)15-30-10-9-17-11-22(27)20(13-23(17)30)16-5-3-2-4-6-16/h2-8,11-13,32H,9-10,15H2,1H3,(H,29,31).
What are the key properties of N-(3-chloro-4-cyanophenyl)-3-(5-fluoro-6-phenyl-2,3-dihydroindol-1-yl)-2-hydroxy-2-methylpropanamide?
N-(3-chloro-4-cyanophenyl)-3-(5-fluoro-6-phenyl-2,3-dihydroindol-1-yl)-2-hydroxy-2-methylpropanamide has a molecular weight of 449.91 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-3-(5-fluoro-6-phenyl-2,3-dihydroindol-1-yl)-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 122640086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).