2-[7-fluoro-1-[(3-methoxyphenyl)methyl]-2-oxoindol-3-ylidene]acetic acid

C18H14FNO4 — CID 76656070

IUPAC2-[7-fluoro-1-[(3-methoxyphenyl)methyl]-2-oxoindol-3-ylidene]acetic acid
SMILESCOc1cccc(CN2C(=O)C(=CC(=O)O)c3cccc(F)c32)c1
InChIInChI=1S/C18H14FNO4/c1-24-12-5-2-4-11(8-12)10-20-17-13(6-3-7-15(17)19)14(18(20)23)9-16(21)22/h2-9H,10H2,1H3,(H,21,22)
InChIKeyDCNDJSNDKFORBK-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.85
Rot. Bonds4

About 2-[7-fluoro-1-[(3-methoxyphenyl)methyl]-2-oxoindol-3-ylidene]acetic acid

2-[7-fluoro-1-[(3-methoxyphenyl)methyl]-2-oxoindol-3-ylidene]acetic acid (PubChem CID 76656070) has the molecular formula C18H14FNO4 and a molecular weight of 327.31 g/mol. Its IUPAC name is 2-[7-fluoro-1-[(3-methoxyphenyl)methyl]-2-oxoindol-3-ylidene]acetic acid.

Molecular Properties

Compound Name2-[7-fluoro-1-[(3-methoxyphenyl)methyl]-2-oxoindol-3-ylidene]acetic acid
PubChem CID76656070
Molecular FormulaC18H14FNO4
Molecular Weight327.31 g/mol
Exact Mass327.09
IUPAC Name2-[7-fluoro-1-[(3-methoxyphenyl)methyl]-2-oxoindol-3-ylidene]acetic acid
SMILESCOc1cccc(CN2C(=O)C(=CC(=O)O)c3cccc(F)c32)c1
InChIInChI=1S/C18H14FNO4/c1-24-12-5-2-4-11(8-12)10-20-17-13(6-3-7-15(17)19)14(18(20)23)9-16(21)22/h2-9H,10H2,1H3,(H,21,22)
InChIKeyDCNDJSNDKFORBK-UHFFFAOYSA-N
XLogP2.85
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.85
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

(2E)-2-[1-[(3-methoxyphenyl)methyl]-2-oxoindol-3-ylidene]acetic acid
CID 58101368
(2Z)-2-(5-fluoro-2-methoxyfluoren-9-ylidene)acetic acid
CID 82578770
4-amino-2-[(3-methoxyphenyl)methyl]isoindole-1,3-dione
CID 850937
7,18-bis[(3-methoxyphenyl)methyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 20661232
methyl 4-[(3-methoxyphenyl)methylidene]-2-methyl-5-oxo-1-(2-phenylethyl)pyrrole-3-carboxylate
CID 1109421
1-butyl-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione
CID 84602746
2-[1-(cyclopentylmethyl)-7-fluoro-2-oxoindol-3-ylidene]-N,N-dimethylacetamide
CID 66891530
N-benzyl-5-[(3-methoxyphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 15990744
1-[(3-methoxyphenyl)methyl]piperazine-2,6-dione
CID 66063818
(2E)-2-[4-[(3-methoxyphenyl)methyl]-3-oxo-1,4-benzothiazin-2-ylidene]-N,N-dimethylacetamide
CID 46089871
2-(2-fluorophenyl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 50743760
1-(5-benzyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 22511663

Frequently Asked Questions

What is the IUPAC name of 2-[7-fluoro-1-[(3-methoxyphenyl)methyl]-2-oxoindol-3-ylidene]acetic acid?
The IUPAC name of 2-[7-fluoro-1-[(3-methoxyphenyl)methyl]-2-oxoindol-3-ylidene]acetic acid (CID 76656070) is 2-[7-fluoro-1-[(3-methoxyphenyl)methyl]-2-oxoindol-3-ylidene]acetic acid.
What is the SMILES notation for 2-[7-fluoro-1-[(3-methoxyphenyl)methyl]-2-oxoindol-3-ylidene]acetic acid?
The canonical SMILES for 2-[7-fluoro-1-[(3-methoxyphenyl)methyl]-2-oxoindol-3-ylidene]acetic acid is COc1cccc(CN2C(=O)C(=CC(=O)O)c3cccc(F)c32)c1.
What is the InChIKey of 2-[7-fluoro-1-[(3-methoxyphenyl)methyl]-2-oxoindol-3-ylidene]acetic acid?
The InChIKey is DCNDJSNDKFORBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO4/c1-24-12-5-2-4-11(8-12)10-20-17-13(6-3-7-15(17)19)14(18(20)23)9-16(21)22/h2-9H,10H2,1H3,(H,21,22).
What are the key properties of 2-[7-fluoro-1-[(3-methoxyphenyl)methyl]-2-oxoindol-3-ylidene]acetic acid?
2-[7-fluoro-1-[(3-methoxyphenyl)methyl]-2-oxoindol-3-ylidene]acetic acid has a molecular weight of 327.31 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-fluoro-1-[(3-methoxyphenyl)methyl]-2-oxoindol-3-ylidene]acetic acid is sourced from PubChem (CID 76656070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).