(E)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(3-methyl-2H-indazol-6-yl)prop-2-enamide

C20H18FN3O — CID 162747114

IUPAC(E)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(3-methyl-2H-indazol-6-yl)prop-2-enamide
SMILESCc1[nH]nc2cc(/C=C/C(=O)NC3CCc4cc(F)ccc43)ccc12
InChIInChI=1S/C20H18FN3O/c1-12-16-6-2-13(10-19(16)24-23-12)3-9-20(25)22-18-8-4-14-11-15(21)5-7-17(14)18/h2-3,5-7,9-11,18H,4,8H2,1H3,(H,22,25)(H,23,24)/b9-3+
InChIKeyLTWVQEFULFRSOJ-YCRREMRBSA-N
MW335.38 g/mol
LogP3.83
Rot. Bonds3

About (E)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(3-methyl-2H-indazol-6-yl)prop-2-enamide

(E)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(3-methyl-2H-indazol-6-yl)prop-2-enamide (PubChem CID 162747114) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is (E)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(3-methyl-2H-indazol-6-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(3-methyl-2H-indazol-6-yl)prop-2-enamide
PubChem CID162747114
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name(E)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(3-methyl-2H-indazol-6-yl)prop-2-enamide
SMILESCc1[nH]nc2cc(/C=C/C(=O)NC3CCc4cc(F)ccc43)ccc12
InChIInChI=1S/C20H18FN3O/c1-12-16-6-2-13(10-19(16)24-23-12)3-9-20(25)22-18-8-4-14-11-15(21)5-7-17(14)18/h2-3,5-7,9-11,18H,4,8H2,1H3,(H,22,25)(H,23,24)/b9-3+
InChIKeyLTWVQEFULFRSOJ-YCRREMRBSA-N
XLogP3.83
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(3-methyl-2H-indazol-6-yl)prop-2-enamide?
The IUPAC name of (E)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(3-methyl-2H-indazol-6-yl)prop-2-enamide (CID 162747114) is (E)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(3-methyl-2H-indazol-6-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(3-methyl-2H-indazol-6-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(3-methyl-2H-indazol-6-yl)prop-2-enamide is Cc1[nH]nc2cc(/C=C/C(=O)NC3CCc4cc(F)ccc43)ccc12.
What is the InChIKey of (E)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(3-methyl-2H-indazol-6-yl)prop-2-enamide?
The InChIKey is LTWVQEFULFRSOJ-YCRREMRBSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-12-16-6-2-13(10-19(16)24-23-12)3-9-20(25)22-18-8-4-14-11-15(21)5-7-17(14)18/h2-3,5-7,9-11,18H,4,8H2,1H3,(H,22,25)(H,23,24)/b9-3+.
What are the key properties of (E)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(3-methyl-2H-indazol-6-yl)prop-2-enamide?
(E)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(3-methyl-2H-indazol-6-yl)prop-2-enamide has a molecular weight of 335.38 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(3-methyl-2H-indazol-6-yl)prop-2-enamide is sourced from PubChem (CID 162747114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).