N-[1-[3-(1,1-difluoroethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-methyl-1H-indole-2-carboxamide

C19H23F2N3O2 — CID 176993910

IUPACN-[1-[3-(1,1-difluoroethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NC(C)C(=O)N3CCC(C(C)(F)F)C3)cc2c1
InChIInChI=1S/C19H23F2N3O2/c1-11-4-5-15-13(8-11)9-16(23-15)17(25)22-12(2)18(26)24-7-6-14(10-24)19(3,20)21/h4-5,8-9,12,14,23H,6-7,10H2,1-3H3,(H,22,25)
InChIKeyDKTKFPYIEBSORJ-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.10
Rot. Bonds4

About N-[1-[3-(1,1-difluoroethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-methyl-1H-indole-2-carboxamide

N-[1-[3-(1,1-difluoroethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-methyl-1H-indole-2-carboxamide (PubChem CID 176993910) has the molecular formula C19H23F2N3O2 and a molecular weight of 363.41 g/mol. Its IUPAC name is N-[1-[3-(1,1-difluoroethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(1,1-difluoroethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-methyl-1H-indole-2-carboxamide
PubChem CID176993910
Molecular FormulaC19H23F2N3O2
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC NameN-[1-[3-(1,1-difluoroethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NC(C)C(=O)N3CCC(C(C)(F)F)C3)cc2c1
InChIInChI=1S/C19H23F2N3O2/c1-11-4-5-15-13(8-11)9-16(23-15)17(25)22-12(2)18(26)24-7-6-14(10-24)19(3,20)21/h4-5,8-9,12,14,23H,6-7,10H2,1-3H3,(H,22,25)
InChIKeyDKTKFPYIEBSORJ-UHFFFAOYSA-N
XLogP3.10
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[3-(1,1-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 176993901
5-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-indole-2-carboxamide
CID 176993985
5-methyl-N-(1-methylpyrrolidin-3-yl)-1H-indole-2-carboxamide
CID 47375273
1-(5-methyl-1H-indole-2-carbonyl)piperidine-4-carboxamide
CID 7326182
5-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7322417
5-methyl-N-[(2S)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide
CID 7322431
N-[1-(2,5-difluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
CID 46588010
N-cyclohexyl-5-methyl-1H-indole-2-carboxamide
CID 3886919
N-[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]-5-methyl-1H-indole-2-carboxamide
CID 130426379
5-chloro-N-[(2S)-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]-1H-indole-2-carboxamide
CID 176993914
6-chloro-N-[(2S)-3,3-dimethyl-1-[(1S,4S)-5-(5-methyl-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxobutan-2-yl]-1H-indole-2-carboxamide
CID 67215569
N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 176994031

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(1,1-difluoroethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[1-[3-(1,1-difluoroethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-methyl-1H-indole-2-carboxamide (CID 176993910) is N-[1-[3-(1,1-difluoroethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-[3-(1,1-difluoroethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-[3-(1,1-difluoroethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-methyl-1H-indole-2-carboxamide is Cc1ccc2[nH]c(C(=O)NC(C)C(=O)N3CCC(C(C)(F)F)C3)cc2c1.
What is the InChIKey of N-[1-[3-(1,1-difluoroethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-methyl-1H-indole-2-carboxamide?
The InChIKey is DKTKFPYIEBSORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O2/c1-11-4-5-15-13(8-11)9-16(23-15)17(25)22-12(2)18(26)24-7-6-14(10-24)19(3,20)21/h4-5,8-9,12,14,23H,6-7,10H2,1-3H3,(H,22,25).
What are the key properties of N-[1-[3-(1,1-difluoroethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-methyl-1H-indole-2-carboxamide?
N-[1-[3-(1,1-difluoroethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-methyl-1H-indole-2-carboxamide has a molecular weight of 363.41 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(1,1-difluoroethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 176993910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).