N-[2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]prop-2-enamide

C19H17FN2O2 — CID 166420836

IUPACN-[2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1CC(=O)N1CCc2c(F)cccc21
InChIInChI=1S/C19H17FN2O2/c1-2-18(23)21-16-8-4-3-6-13(16)12-19(24)22-11-10-14-15(20)7-5-9-17(14)22/h2-9H,1,10-12H2,(H,21,23)
InChIKeyKRMVPVCIXVBRFI-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.08
Rot. Bonds4

About N-[2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]prop-2-enamide

N-[2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]prop-2-enamide (PubChem CID 166420836) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is N-[2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]prop-2-enamide
PubChem CID166420836
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC NameN-[2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1CC(=O)N1CCc2c(F)cccc21
InChIInChI=1S/C19H17FN2O2/c1-2-18(23)21-16-8-4-3-6-13(16)12-19(24)22-11-10-14-15(20)7-5-9-17(14)22/h2-9H,1,10-12H2,(H,21,23)
InChIKeyKRMVPVCIXVBRFI-UHFFFAOYSA-N
XLogP3.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.08
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

N-[4-[3-(4-fluoro-2,3-dihydroindol-1-yl)-3-oxopropyl]phenyl]prop-2-enamide
CID 166421996
N-[2-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
CID 139018823
N-[2-[2-(1,3-oxazinan-3-yl)-2-oxoethyl]phenyl]prop-2-enamide
CID 166420101
N-[2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-oxoethyl]phenyl]prop-2-enamide
CID 166420879
1-(4-fluoro-2,3-dihydroindol-1-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 141312667
N,N-dimethyl-1-[2-[2-(prop-2-enoylamino)phenyl]acetyl]pyrrolidine-2-carboxamide
CID 166420126
N-[2-[2-oxo-2-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)ethyl]phenyl]prop-2-enamide
CID 166420099
N-[2-[2-oxo-2-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethyl]phenyl]prop-2-enamide
CID 166420866
N-[3-(fluoromethyl)-2-methylphenyl]prop-2-enamide
CID 122415346
1-(2-bromophenyl)-3-[2-(4-fluoro-2,3-dihydroindol-1-yl)ethyl]urea
CID 10215835
N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]prop-2-enamide
CID 166414486
1-(4-fluoro-2,3-dihydroindol-1-yl)-4-pyrrolidin-1-ylsulfonylbutan-1-one
CID 122142630

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]prop-2-enamide?
The IUPAC name of N-[2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]prop-2-enamide (CID 166420836) is N-[2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccccc1CC(=O)N1CCc2c(F)cccc21.
What is the InChIKey of N-[2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]prop-2-enamide?
The InChIKey is KRMVPVCIXVBRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-2-18(23)21-16-8-4-3-6-13(16)12-19(24)22-11-10-14-15(20)7-5-9-17(14)22/h2-9H,1,10-12H2,(H,21,23).
What are the key properties of N-[2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]prop-2-enamide?
N-[2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]prop-2-enamide has a molecular weight of 324.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]prop-2-enamide is sourced from PubChem (CID 166420836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).