6-fluoro-1-methyl-7-(1-prop-2-enoylpyrrolidin-3-yl)-2-(trifluoromethyl)-3H-indene-4-carboxamide

C19H18F4N2O2 — CID 152987796

IUPAC6-fluoro-1-methyl-7-(1-prop-2-enoylpyrrolidin-3-yl)-2-(trifluoromethyl)-3H-indene-4-carboxamide
SMILESC=CC(=O)N1CCC(c2c(F)cc(C(N)=O)c3c2C(C)=C(C(F)(F)F)C3)C1
InChIInChI=1S/C19H18F4N2O2/c1-3-15(26)25-5-4-10(8-25)17-14(20)7-12(18(24)27)11-6-13(19(21,22)23)9(2)16(11)17/h3,7,10H,1,4-6,8H2,2H3,(H2,24,27)
InChIKeyUVQUBTATRUMMQS-UHFFFAOYSA-N
MW382.36 g/mol
LogP3.32
Rot. Bonds3

About 6-fluoro-1-methyl-7-(1-prop-2-enoylpyrrolidin-3-yl)-2-(trifluoromethyl)-3H-indene-4-carboxamide

6-fluoro-1-methyl-7-(1-prop-2-enoylpyrrolidin-3-yl)-2-(trifluoromethyl)-3H-indene-4-carboxamide (PubChem CID 152987796) has the molecular formula C19H18F4N2O2 and a molecular weight of 382.36 g/mol. Its IUPAC name is 6-fluoro-1-methyl-7-(1-prop-2-enoylpyrrolidin-3-yl)-2-(trifluoromethyl)-3H-indene-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-1-methyl-7-(1-prop-2-enoylpyrrolidin-3-yl)-2-(trifluoromethyl)-3H-indene-4-carboxamide
PubChem CID152987796
Molecular FormulaC19H18F4N2O2
Molecular Weight382.36 g/mol
Exact Mass382.13
IUPAC Name6-fluoro-1-methyl-7-(1-prop-2-enoylpyrrolidin-3-yl)-2-(trifluoromethyl)-3H-indene-4-carboxamide
SMILESC=CC(=O)N1CCC(c2c(F)cc(C(N)=O)c3c2C(C)=C(C(F)(F)F)C3)C1
InChIInChI=1S/C19H18F4N2O2/c1-3-15(26)25-5-4-10(8-25)17-14(20)7-12(18(24)27)11-6-13(19(21,22)23)9(2)16(11)17/h3,7,10H,1,4-6,8H2,2H3,(H2,24,27)
InChIKeyUVQUBTATRUMMQS-UHFFFAOYSA-N
XLogP3.32
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-1-methyl-7-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-2-(trifluoromethyl)-3H-indene-4-carboxamide
CID 147330951
6-fluoro-1-methyl-7-piperidin-3-yl-2-(trifluoromethyl)-3H-indene-4-carboxamide
CID 158336344
6-fluoro-1,2-dimethyl-7-[methyl-[(3S)-1-oxaldehydoylpyrrolidin-3-yl]amino]-3H-indene-4-carboxamide
CID 159103268
1,2-dimethyl-7-[methyl-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]amino]-3H-indene-4-carboxamide
CID 147536973
5-fluoro-2,3-dimethyl-4-[methyl-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]amino]-1H-indole-7-carboxamide
CID 121294067
2,3-dimethyl-4-(1-prop-2-enoylpyrrolidin-3-yl)-1H-indole-7-carboxamide
CID 121293914
2-[4-(4-methylphenoxy)phenoxy]-6-(1-prop-2-enoylpyrrolidin-3-yl)pyridine-3-carboxamide
CID 118038357
N-methyl-N-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]-3,5-bis(trifluoromethyl)benzamide
CID 172888258
3-fluoro-4-[(1S,4S)-2-prop-2-enoyl-2-azabicyclo[2.2.1]heptan-5-yl]-9H-fluorene-1-carboxamide
CID 148905848
7-[(3S)-3-[but-2-ynoyl(ethyl)amino]piperidin-1-yl]-6-fluoro-1,2-dimethyl-3H-indene-4-carboxamide
CID 158025825
4-(4-phenoxyphenoxy)-2-(1-prop-2-enoylpyrrolidin-3-yl)pyrimidine-5-carboxamide
CID 118038190
7-amino-2-(trihydroxymethyl)isoquinolin-1-one;1-[3-(2,3-dichloro-6-fluorophenyl)pyrrolidin-1-yl]prop-2-en-1-one;ethane
CID 176997041

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-7-(1-prop-2-enoylpyrrolidin-3-yl)-2-(trifluoromethyl)-3H-indene-4-carboxamide?
The IUPAC name of 6-fluoro-1-methyl-7-(1-prop-2-enoylpyrrolidin-3-yl)-2-(trifluoromethyl)-3H-indene-4-carboxamide (CID 152987796) is 6-fluoro-1-methyl-7-(1-prop-2-enoylpyrrolidin-3-yl)-2-(trifluoromethyl)-3H-indene-4-carboxamide.
What is the SMILES notation for 6-fluoro-1-methyl-7-(1-prop-2-enoylpyrrolidin-3-yl)-2-(trifluoromethyl)-3H-indene-4-carboxamide?
The canonical SMILES for 6-fluoro-1-methyl-7-(1-prop-2-enoylpyrrolidin-3-yl)-2-(trifluoromethyl)-3H-indene-4-carboxamide is C=CC(=O)N1CCC(c2c(F)cc(C(N)=O)c3c2C(C)=C(C(F)(F)F)C3)C1.
What is the InChIKey of 6-fluoro-1-methyl-7-(1-prop-2-enoylpyrrolidin-3-yl)-2-(trifluoromethyl)-3H-indene-4-carboxamide?
The InChIKey is UVQUBTATRUMMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N2O2/c1-3-15(26)25-5-4-10(8-25)17-14(20)7-12(18(24)27)11-6-13(19(21,22)23)9(2)16(11)17/h3,7,10H,1,4-6,8H2,2H3,(H2,24,27).
What are the key properties of 6-fluoro-1-methyl-7-(1-prop-2-enoylpyrrolidin-3-yl)-2-(trifluoromethyl)-3H-indene-4-carboxamide?
6-fluoro-1-methyl-7-(1-prop-2-enoylpyrrolidin-3-yl)-2-(trifluoromethyl)-3H-indene-4-carboxamide has a molecular weight of 382.36 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methyl-7-(1-prop-2-enoylpyrrolidin-3-yl)-2-(trifluoromethyl)-3H-indene-4-carboxamide is sourced from PubChem (CID 152987796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).