ethyl (E)-3-[3-(4-fluorophenyl)-2-oxo-1H-indol-3-yl]prop-2-enoate

C19H16FNO3 — CID 102100177

IUPACethyl (E)-3-[3-(4-fluorophenyl)-2-oxo-1H-indol-3-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/C1(c2ccc(F)cc2)C(=O)Nc2ccccc21
InChIInChI=1S/C19H16FNO3/c1-2-24-17(22)11-12-19(13-7-9-14(20)10-8-13)15-5-3-4-6-16(15)21-18(19)23/h3-12H,2H2,1H3,(H,21,23)/b12-11+
InChIKeyNUDMQGKHUJTZIQ-VAWYXSNFSA-N
MW325.34 g/mol
LogP3.18
Rot. Bonds4

About ethyl (E)-3-[3-(4-fluorophenyl)-2-oxo-1H-indol-3-yl]prop-2-enoate

ethyl (E)-3-[3-(4-fluorophenyl)-2-oxo-1H-indol-3-yl]prop-2-enoate (PubChem CID 102100177) has the molecular formula C19H16FNO3 and a molecular weight of 325.34 g/mol. Its IUPAC name is ethyl (E)-3-[3-(4-fluorophenyl)-2-oxo-1H-indol-3-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[3-(4-fluorophenyl)-2-oxo-1H-indol-3-yl]prop-2-enoate
PubChem CID102100177
Molecular FormulaC19H16FNO3
Molecular Weight325.34 g/mol
Exact Mass325.11
IUPAC Nameethyl (E)-3-[3-(4-fluorophenyl)-2-oxo-1H-indol-3-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/C1(c2ccc(F)cc2)C(=O)Nc2ccccc21
InChIInChI=1S/C19H16FNO3/c1-2-24-17(22)11-12-19(13-7-9-14(20)10-8-13)15-5-3-4-6-16(15)21-18(19)23/h3-12H,2H2,1H3,(H,21,23)/b12-11+
InChIKeyNUDMQGKHUJTZIQ-VAWYXSNFSA-N
XLogP3.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-fluoro-2-oxo-1H-indole-3-carboxylate
CID 11195429
ethyl (E)-3-[(1'R,3R)-2-oxospiro[1H-indole-3,5'-cyclohex-2-ene]-1'-yl]prop-2-enoate
CID 169232063
ethane;ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate
CID 143412734
ethyl (E)-3-(2-oxo-1,3-dihydroindol-3-yl)prop-2-enoate
CID 174787391
3,3-dimethyl-1H-indol-2-one;ethanol
CID 158151574
ethyl 2-(2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)acetate
CID 43842432
ethyl (E)-4-(2-fluorophenyl)but-2-enoate
CID 67059339
ethyl (2Z)-2-(3-methyl-3-methylsulfanyl-1H-indol-2-ylidene)acetate
CID 13409173
2-[(3S)-3-amino-2-oxo-1H-indol-3-yl]acetic acid
CID 134861638
ethyl 3-(4-oxo-1-phenylcyclohexyl)prop-2-enoate
CID 54379708
ethyl (E)-4-(4-fluoroanilino)but-2-enoate
CID 80546281
ethyl 3-methyl-1,4-dihydroquinoxaline-2-carboxylate
CID 71194784

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[3-(4-fluorophenyl)-2-oxo-1H-indol-3-yl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[3-(4-fluorophenyl)-2-oxo-1H-indol-3-yl]prop-2-enoate (CID 102100177) is ethyl (E)-3-[3-(4-fluorophenyl)-2-oxo-1H-indol-3-yl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[3-(4-fluorophenyl)-2-oxo-1H-indol-3-yl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[3-(4-fluorophenyl)-2-oxo-1H-indol-3-yl]prop-2-enoate is CCOC(=O)/C=C/C1(c2ccc(F)cc2)C(=O)Nc2ccccc21.
What is the InChIKey of ethyl (E)-3-[3-(4-fluorophenyl)-2-oxo-1H-indol-3-yl]prop-2-enoate?
The InChIKey is NUDMQGKHUJTZIQ-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H16FNO3/c1-2-24-17(22)11-12-19(13-7-9-14(20)10-8-13)15-5-3-4-6-16(15)21-18(19)23/h3-12H,2H2,1H3,(H,21,23)/b12-11+.
What are the key properties of ethyl (E)-3-[3-(4-fluorophenyl)-2-oxo-1H-indol-3-yl]prop-2-enoate?
ethyl (E)-3-[3-(4-fluorophenyl)-2-oxo-1H-indol-3-yl]prop-2-enoate has a molecular weight of 325.34 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[3-(4-fluorophenyl)-2-oxo-1H-indol-3-yl]prop-2-enoate is sourced from PubChem (CID 102100177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).