2-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid

C19H18FNO3 — CID 119108624

IUPAC2-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
SMILESCc1ccc(F)c(NC(=O)CC2(C(=O)O)Cc3ccccc3C2)c1
InChIInChI=1S/C19H18FNO3/c1-12-6-7-15(20)16(8-12)21-17(22)11-19(18(23)24)9-13-4-2-3-5-14(13)10-19/h2-8H,9-11H2,1H3,(H,21,22)(H,23,24)
InChIKeyPTJYGIUVMRORDP-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.33
Rot. Bonds4

About 2-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid

2-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 119108624) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
PubChem CID119108624
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC Name2-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
SMILESCc1ccc(F)c(NC(=O)CC2(C(=O)O)Cc3ccccc3C2)c1
InChIInChI=1S/C19H18FNO3/c1-12-6-7-15(20)16(8-12)21-17(22)11-19(18(23)24)9-13-4-2-3-5-14(13)10-19/h2-8H,9-11H2,1H3,(H,21,22)(H,23,24)
InChIKeyPTJYGIUVMRORDP-UHFFFAOYSA-N
XLogP3.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108628
2-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108591
2-[2-[5-chloro-2-(methylcarbamoyl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108685
2-[2-[2-methyl-5-(2-methylpropanoylamino)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108662
2-[2-[5-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108665
4-(2-fluoro-5-methylanilino)-4-oxobutanoic acid
CID 6470807
2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108614
1-[2-(2,5-difluoro-4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 103584581
2-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108593
sodium 2-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylate
CID 166434949
2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119109727
(3Z)-3-amino-N-(2-fluoro-5-methylphenyl)-3-hydroxyiminopropanamide
CID 43156189

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid (CID 119108624) is 2-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid is Cc1ccc(F)c(NC(=O)CC2(C(=O)O)Cc3ccccc3C2)c1.
What is the InChIKey of 2-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is PTJYGIUVMRORDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3/c1-12-6-7-15(20)16(8-12)21-17(22)11-19(18(23)24)9-13-4-2-3-5-14(13)10-19/h2-8H,9-11H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
2-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 327.36 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 119108624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).