2-[2-[5-chloro-2-(methylcarbamoyl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid

C20H19ClN2O4 — CID 119108685

IUPAC2-[2-[5-chloro-2-(methylcarbamoyl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
SMILESCNC(=O)c1ccc(Cl)cc1NC(=O)CC1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C20H19ClN2O4/c1-22-18(25)15-7-6-14(21)8-16(15)23-17(24)11-20(19(26)27)9-12-4-2-3-5-13(12)10-20/h2-8H,9-11H2,1H3,(H,22,25)(H,23,24)(H,26,27)
InChIKeyPFPHHTOUHIFSMO-UHFFFAOYSA-N
MW386.84 g/mol
LogP2.90
Rot. Bonds5

About 2-[2-[5-chloro-2-(methylcarbamoyl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid

2-[2-[5-chloro-2-(methylcarbamoyl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 119108685) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is 2-[2-[5-chloro-2-(methylcarbamoyl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[2-[5-chloro-2-(methylcarbamoyl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
PubChem CID119108685
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name2-[2-[5-chloro-2-(methylcarbamoyl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
SMILESCNC(=O)c1ccc(Cl)cc1NC(=O)CC1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C20H19ClN2O4/c1-22-18(25)15-7-6-14(21)8-16(15)23-17(24)11-20(19(26)27)9-12-4-2-3-5-13(12)10-20/h2-8H,9-11H2,1H3,(H,22,25)(H,23,24)(H,26,27)
InChIKeyPFPHHTOUHIFSMO-UHFFFAOYSA-N
XLogP2.90
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108624
2-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108591
4-[5-chloro-2-(methylcarbamoyl)anilino]-2,2-diethyl-4-oxobutanoic acid
CID 60531372
2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108614
2-[2-(3-ethoxyanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108687
2-(3-aminopropanoylamino)-5-chloro-N-methylbenzamide
CID 119284267
2-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108593
(2R)-N-[5-chloro-2-(methylcarbamoyl)phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166256094
2-[2-[2-(cyclopropylmethoxy)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119137884
4-chloro-2-[(2-phenylacetyl)amino]benzoic acid
CID 3880553
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 26543562
5-chloro-2-[(3-hydroxy-3-phenylbutanoyl)amino]-N-methylbenzamide
CID 110024808

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-chloro-2-(methylcarbamoyl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[2-[5-chloro-2-(methylcarbamoyl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid (CID 119108685) is 2-[2-[5-chloro-2-(methylcarbamoyl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[2-[5-chloro-2-(methylcarbamoyl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[2-[5-chloro-2-(methylcarbamoyl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid is CNC(=O)c1ccc(Cl)cc1NC(=O)CC1(C(=O)O)Cc2ccccc2C1.
What is the InChIKey of 2-[2-[5-chloro-2-(methylcarbamoyl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is PFPHHTOUHIFSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-22-18(25)15-7-6-14(21)8-16(15)23-17(24)11-20(19(26)27)9-12-4-2-3-5-13(12)10-20/h2-8H,9-11H2,1H3,(H,22,25)(H,23,24)(H,26,27).
What are the key properties of 2-[2-[5-chloro-2-(methylcarbamoyl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
2-[2-[5-chloro-2-(methylcarbamoyl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 386.84 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-chloro-2-(methylcarbamoyl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 119108685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).