methyl (Z)-2-[(3-fluoro-1-methyl-2-oxoindol-3-yl)methyl]-3-phenylprop-2-enoate

C20H18FNO3 — CID 138980178

IUPACmethyl (Z)-2-[(3-fluoro-1-methyl-2-oxoindol-3-yl)methyl]-3-phenylprop-2-enoate
SMILESCOC(=O)/C(=C\c1ccccc1)CC1(F)C(=O)N(C)c2ccccc21
InChIInChI=1S/C20H18FNO3/c1-22-17-11-7-6-10-16(17)20(21,19(22)24)13-15(18(23)25-2)12-14-8-4-3-5-9-14/h3-12H,13H2,1-2H3/b15-12-
InChIKeyKYVSAGZVGVFOEQ-QINSGFPZSA-N
MW339.37 g/mol
LogP3.47
Rot. Bonds4

About methyl (Z)-2-[(3-fluoro-1-methyl-2-oxoindol-3-yl)methyl]-3-phenylprop-2-enoate

methyl (Z)-2-[(3-fluoro-1-methyl-2-oxoindol-3-yl)methyl]-3-phenylprop-2-enoate (PubChem CID 138980178) has the molecular formula C20H18FNO3 and a molecular weight of 339.37 g/mol. Its IUPAC name is methyl (Z)-2-[(3-fluoro-1-methyl-2-oxoindol-3-yl)methyl]-3-phenylprop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-[(3-fluoro-1-methyl-2-oxoindol-3-yl)methyl]-3-phenylprop-2-enoate
PubChem CID138980178
Molecular FormulaC20H18FNO3
Molecular Weight339.37 g/mol
Exact Mass339.13
IUPAC Namemethyl (Z)-2-[(3-fluoro-1-methyl-2-oxoindol-3-yl)methyl]-3-phenylprop-2-enoate
SMILESCOC(=O)/C(=C\c1ccccc1)CC1(F)C(=O)N(C)c2ccccc21
InChIInChI=1S/C20H18FNO3/c1-22-17-11-7-6-10-16(17)20(21,19(22)24)13-15(18(23)25-2)12-14-8-4-3-5-9-14/h3-12H,13H2,1-2H3/b15-12-
InChIKeyKYVSAGZVGVFOEQ-QINSGFPZSA-N
XLogP3.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-fluorophenyl)-1-(3-methylphenyl)-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
CID 4920424
1-(3-fluorophenyl)-4-phenyl-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
CID 4901500
4-(4-ethylphenyl)-1-(3-fluorophenyl)-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
CID 5294745
1-(4-fluorophenyl)-4-phenyl-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
CID 4920462
4-(4-fluorophenyl)-1-phenyl-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
CID 4920415
Methyl 3-((3-(2-amino-2-oxoethylidene)-2-oxoindolin-1-yl)methyl)benzoate
CID 46889990
tert-butyl (2E)-2-(1-benzyl-2-oxoindol-3-ylidene)acetate
CID 57333645
ethyl (Z)-3-amino-2-(5-fluoro-1-methyl-2-oxo-3H-indol-3-yl)-4-oxo-4-phenylbut-2-enoate
CID 145982681
methyl (2Z)-2-(1-benzyl-2-oxoindol-3-ylidene)acetate
CID 12301658
(e)-Ethyl 2-(1-methyl-2-oxoindolin-3-ylidene) acetate
CID 12434247
Ethyl (2E)-2-[1,2-dihydro-2-oxo-1-(phenylmethyl)-3H-indol-3-ylidene]acetate
CID 6476997
4-(4-ethylphenyl)-1-(4-fluorophenyl)-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
CID 4920461

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-[(3-fluoro-1-methyl-2-oxoindol-3-yl)methyl]-3-phenylprop-2-enoate?
The IUPAC name of methyl (Z)-2-[(3-fluoro-1-methyl-2-oxoindol-3-yl)methyl]-3-phenylprop-2-enoate (CID 138980178) is methyl (Z)-2-[(3-fluoro-1-methyl-2-oxoindol-3-yl)methyl]-3-phenylprop-2-enoate.
What is the SMILES notation for methyl (Z)-2-[(3-fluoro-1-methyl-2-oxoindol-3-yl)methyl]-3-phenylprop-2-enoate?
The canonical SMILES for methyl (Z)-2-[(3-fluoro-1-methyl-2-oxoindol-3-yl)methyl]-3-phenylprop-2-enoate is COC(=O)/C(=C\c1ccccc1)CC1(F)C(=O)N(C)c2ccccc21.
What is the InChIKey of methyl (Z)-2-[(3-fluoro-1-methyl-2-oxoindol-3-yl)methyl]-3-phenylprop-2-enoate?
The InChIKey is KYVSAGZVGVFOEQ-QINSGFPZSA-N. The full InChI is InChI=1S/C20H18FNO3/c1-22-17-11-7-6-10-16(17)20(21,19(22)24)13-15(18(23)25-2)12-14-8-4-3-5-9-14/h3-12H,13H2,1-2H3/b15-12-.
What are the key properties of methyl (Z)-2-[(3-fluoro-1-methyl-2-oxoindol-3-yl)methyl]-3-phenylprop-2-enoate?
methyl (Z)-2-[(3-fluoro-1-methyl-2-oxoindol-3-yl)methyl]-3-phenylprop-2-enoate has a molecular weight of 339.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-[(3-fluoro-1-methyl-2-oxoindol-3-yl)methyl]-3-phenylprop-2-enoate is sourced from PubChem (CID 138980178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).