2-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid

C22H22N2O4 — CID 119108646

IUPAC2-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(CC1(C(=O)O)Cc2ccccc2C1)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C22H22N2O4/c25-19(13-22(21(27)28)11-15-4-1-2-5-16(15)12-22)23-17-6-3-7-18(10-17)24-20(26)14-8-9-14/h1-7,10,14H,8-9,11-13H2,(H,23,25)(H,24,26)(H,27,28)
InChIKeyPZYBNCFRWNMRRU-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.23
Rot. Bonds6

About 2-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid

2-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 119108646) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
PubChem CID119108646
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name2-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(CC1(C(=O)O)Cc2ccccc2C1)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C22H22N2O4/c25-19(13-22(21(27)28)11-15-4-1-2-5-16(15)12-22)23-17-6-3-7-18(10-17)24-20(26)14-8-9-14/h1-7,10,14H,8-9,11-13H2,(H,23,25)(H,24,26)(H,27,28)
InChIKeyPZYBNCFRWNMRRU-UHFFFAOYSA-N
XLogP3.23
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[5-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108665
2-[2-(3-ethoxyanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108687
N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide
CID 61251263
2-[2-[3-[[(S)-methylsulfinyl]methyl]anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 99774176
N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide
CID 38325655
N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide
CID 17187554
2-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]sulfanylacetic acid
CID 104569187
N-[3-(phenylcarbamothioylamino)phenyl]cyclopropanecarboxamide
CID 45365632
N-[3-[(2-cyclohexylacetyl)amino]phenyl]cyclopropanecarboxamide
CID 46570451
N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 54794417
4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 171577056
N-[3-(4-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119282191

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid (CID 119108646) is 2-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid is O=C(CC1(C(=O)O)Cc2ccccc2C1)Nc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of 2-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is PZYBNCFRWNMRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c25-19(13-22(21(27)28)11-15-4-1-2-5-16(15)12-22)23-17-6-3-7-18(10-17)24-20(26)14-8-9-14/h1-7,10,14H,8-9,11-13H2,(H,23,25)(H,24,26)(H,27,28).
What are the key properties of 2-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
2-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 378.43 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 119108646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).