6-fluoro-1-methyl-7-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-2-(trifluoromethyl)-3H-indene-4-carboxamide

C19H16F4N2O2 — CID 147330951

IUPAC6-fluoro-1-methyl-7-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-2-(trifluoromethyl)-3H-indene-4-carboxamide
SMILESC=CC(=O)N1CC=C(c2c(F)cc(C(N)=O)c3c2C(C)=C(C(F)(F)F)C3)C1
InChIInChI=1S/C19H16F4N2O2/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/h3-4,7H,1,5-6,8H2,2H3,(H2,24,27)
InChIKeyDBQMNVNBRXGHRN-UHFFFAOYSA-N
MW380.34 g/mol
LogP3.23
Rot. Bonds3

About 6-fluoro-1-methyl-7-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-2-(trifluoromethyl)-3H-indene-4-carboxamide

6-fluoro-1-methyl-7-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-2-(trifluoromethyl)-3H-indene-4-carboxamide (PubChem CID 147330951) has the molecular formula C19H16F4N2O2 and a molecular weight of 380.34 g/mol. Its IUPAC name is 6-fluoro-1-methyl-7-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-2-(trifluoromethyl)-3H-indene-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-1-methyl-7-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-2-(trifluoromethyl)-3H-indene-4-carboxamide
PubChem CID147330951
Molecular FormulaC19H16F4N2O2
Molecular Weight380.34 g/mol
Exact Mass380.11
IUPAC Name6-fluoro-1-methyl-7-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-2-(trifluoromethyl)-3H-indene-4-carboxamide
SMILESC=CC(=O)N1CC=C(c2c(F)cc(C(N)=O)c3c2C(C)=C(C(F)(F)F)C3)C1
InChIInChI=1S/C19H16F4N2O2/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/h3-4,7H,1,5-6,8H2,2H3,(H2,24,27)
InChIKeyDBQMNVNBRXGHRN-UHFFFAOYSA-N
XLogP3.23
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.34
LogP ≤ 53.23
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-enoylpyrrolidin-3-yl)-2-(trifluoromethyl)-3H-indene-4-carboxamide
CID 152987796
5-fluoro-2,3-dimethyl-4-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-1H-indole-7-carboxylic acid
CID 175764617
6-fluoro-1-methyl-7-piperidin-3-yl-2-(trifluoromethyl)-3H-indene-4-carboxamide
CID 158336344
tert-butyl 5-(5-carbamoyl-7-fluoro-1,2,3,4-tetrahydrocyclopenta[a]inden-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 163980516
4-(1-but-2-ynoyl-3,6-dihydro-2H-pyridin-4-yl)-3-fluoro-9H-fluorene-1-carboxamide
CID 160632073
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-(4-fluorophenyl)-3-methyl-4-(2-prop-2-enoyl-3,4-dihydro-1H-isoquinolin-5-yl)-1H-indole-7-carboxamide
CID 121294159
5-fluoro-2,3-dimethyl-4-(5-prop-2-enoyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-1H-indole-7-carboxamide
CID 121294038
5-fluoro-2,3-dimethyl-4-[methyl-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]amino]-1H-indole-7-carboxamide
CID 121294067
3-fluoro-4-[(1S,4S)-2-prop-2-enoyl-2-azabicyclo[2.2.1]heptan-5-yl]-9H-fluorene-1-carboxamide
CID 148905848
2-fluoro-4-methyl-5-[(3E)-penta-1,3-dien-3-yl]benzamide
CID 142305806

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-7-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-2-(trifluoromethyl)-3H-indene-4-carboxamide?
The IUPAC name of 6-fluoro-1-methyl-7-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-2-(trifluoromethyl)-3H-indene-4-carboxamide (CID 147330951) is 6-fluoro-1-methyl-7-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-2-(trifluoromethyl)-3H-indene-4-carboxamide.
What is the SMILES notation for 6-fluoro-1-methyl-7-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-2-(trifluoromethyl)-3H-indene-4-carboxamide?
The canonical SMILES for 6-fluoro-1-methyl-7-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-2-(trifluoromethyl)-3H-indene-4-carboxamide is C=CC(=O)N1CC=C(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-enoyl-2,5-dihydropyrrol-3-yl)-2-(trifluoromethyl)-3H-indene-4-carboxamide?
The InChIKey is DBQMNVNBRXGHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N2O2/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/h3-4,7H,1,5-6,8H2,2H3,(H2,24,27).
What are the key properties of 6-fluoro-1-methyl-7-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-2-(trifluoromethyl)-3H-indene-4-carboxamide?
6-fluoro-1-methyl-7-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-2-(trifluoromethyl)-3H-indene-4-carboxamide has a molecular weight of 380.34 g/mol, XLogP of 3.23, 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-enoyl-2,5-dihydropyrrol-3-yl)-2-(trifluoromethyl)-3H-indene-4-carboxamide is sourced from PubChem (CID 147330951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).