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

C18H18F5N3O2 — CID 176993901

IUPACN-[2-[3-(1,1-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide
SMILESCC(F)(F)C1CCN(C(=O)CNC(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)C1
InChIInChI=1S/C18H18F5N3O2/c1-17(19,20)12-4-5-26(9-12)15(27)8-24-16(28)14-7-10-6-11(18(21,22)23)2-3-13(10)25-14/h2-3,6-7,12,25H,4-5,8-9H2,1H3,(H,24,28)
InChIKeyVOWXLYZAFUUJFT-UHFFFAOYSA-N
MW403.35 g/mol
LogP3.42
Rot. Bonds4

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

N-[2-[3-(1,1-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide (PubChem CID 176993901) has the molecular formula C18H18F5N3O2 and a molecular weight of 403.35 g/mol. Its IUPAC name is N-[2-[3-(1,1-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(1,1-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide
PubChem CID176993901
Molecular FormulaC18H18F5N3O2
Molecular Weight403.35 g/mol
Exact Mass403.13
IUPAC NameN-[2-[3-(1,1-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide
SMILESCC(F)(F)C1CCN(C(=O)CNC(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)C1
InChIInChI=1S/C18H18F5N3O2/c1-17(19,20)12-4-5-26(9-12)15(27)8-24-16(28)14-7-10-6-11(18(21,22)23)2-3-13(10)25-14/h2-3,6-7,12,25H,4-5,8-9H2,1H3,(H,24,28)
InChIKeyVOWXLYZAFUUJFT-UHFFFAOYSA-N
XLogP3.42
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.35
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 176993906
N-[1-[3-(1,1-difluoroethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-methyl-1H-indole-2-carboxamide
CID 176993910
5-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)piperidin-1-yl]ethyl]-1H-indole-2-carboxamide
CID 176993985
N,N-dimethyl-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 126644745
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1H-indole-2-carboxamide
CID 162364764
N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethane
CID 176993954
N-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 9295468
N-(1-phenylethyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 123184701
1-[(3R)-3-(1,1-difluoroethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 129496940
N-(2-methylpropyl)-5-[[4-(trifluoromethyl)benzoyl]amino]-1H-indole-2-carboxamide
CID 83280456
N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)-1H-indole-2-carboxamide
CID 154116724
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 119376008

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(1,1-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide?
The IUPAC name of N-[2-[3-(1,1-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide (CID 176993901) is N-[2-[3-(1,1-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-[3-(1,1-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-[3-(1,1-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide is CC(F)(F)C1CCN(C(=O)CNC(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)C1.
What is the InChIKey of N-[2-[3-(1,1-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide?
The InChIKey is VOWXLYZAFUUJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F5N3O2/c1-17(19,20)12-4-5-26(9-12)15(27)8-24-16(28)14-7-10-6-11(18(21,22)23)2-3-13(10)25-14/h2-3,6-7,12,25H,4-5,8-9H2,1H3,(H,24,28).
What are the key properties of N-[2-[3-(1,1-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide?
N-[2-[3-(1,1-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide has a molecular weight of 403.35 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(1,1-difluoroethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 176993901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).