5-(4-chlorophenyl)-2-[(2-morpholin-4-ylacetyl)amino]-1,3-dihydroindene-2-carboxylic acid;hydrochloride

C22H24Cl2N2O4 — CID 68667168

IUPAC5-(4-chlorophenyl)-2-[(2-morpholin-4-ylacetyl)amino]-1,3-dihydroindene-2-carboxylic acid;hydrochloride
SMILESCl.O=C(CN1CCOCC1)NC1(C(=O)O)Cc2ccc(-c3ccc(Cl)cc3)cc2C1
InChIInChI=1S/C22H23ClN2O4.ClH/c23-19-5-3-15(4-6-19)16-1-2-17-12-22(21(27)28,13-18(17)11-16)24-20(26)14-25-7-9-29-10-8-25;/h1-6,11H,7-10,12-14H2,(H,24,26)(H,27,28);1H
InChIKeyNFLGJQFIUZCAQD-UHFFFAOYSA-N
MW451.35 g/mol
LogP2.80
Rot. Bonds5

About 5-(4-chlorophenyl)-2-[(2-morpholin-4-ylacetyl)amino]-1,3-dihydroindene-2-carboxylic acid;hydrochloride

5-(4-chlorophenyl)-2-[(2-morpholin-4-ylacetyl)amino]-1,3-dihydroindene-2-carboxylic acid;hydrochloride (PubChem CID 68667168) has the molecular formula C22H24Cl2N2O4 and a molecular weight of 451.35 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-[(2-morpholin-4-ylacetyl)amino]-1,3-dihydroindene-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-[(2-morpholin-4-ylacetyl)amino]-1,3-dihydroindene-2-carboxylic acid;hydrochloride
PubChem CID68667168
Molecular FormulaC22H24Cl2N2O4
Molecular Weight451.35 g/mol
Exact Mass450.11
IUPAC Name5-(4-chlorophenyl)-2-[(2-morpholin-4-ylacetyl)amino]-1,3-dihydroindene-2-carboxylic acid;hydrochloride
SMILESCl.O=C(CN1CCOCC1)NC1(C(=O)O)Cc2ccc(-c3ccc(Cl)cc3)cc2C1
InChIInChI=1S/C22H23ClN2O4.ClH/c23-19-5-3-15(4-6-19)16-1-2-17-12-22(21(27)28,13-18(17)11-16)24-20(26)14-25-7-9-29-10-8-25;/h1-6,11H,7-10,12-14H2,(H,24,26)(H,27,28);1H
InChIKeyNFLGJQFIUZCAQD-UHFFFAOYSA-N
XLogP2.80
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.35
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(4-chlorophenyl)-2-[(2-morpholin-4-ylacetyl)amino]-1,3-dihydroindene-2-carboxylic acid;hydrochloride with MolForge

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Related Compounds

N-[1-(3-chlorophenyl)cyclopropyl]-2-morpholin-4-ylacetamide
CID 110444239
ethyl 2-[(2-bromoacetyl)amino]-5-(4-chlorophenyl)-1,3-dihydroindene-2-carboxylate
CID 68666879
4-chloro-N-[3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 50875747
N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-morpholin-4-ylacetamide
CID 8903865
N-(3,5-dichlorophenyl)-2-morpholin-4-ylacetamide
CID 717337
N-(1,4-dimethylpiperidin-4-yl)-2-morpholin-4-ylacetamide
CID 142326973
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5411350
N-(4-chloro-3-iodophenyl)-2-morpholin-4-ylacetamide
CID 142417419
N-(2-amino-5-chlorophenyl)-2-(1,4-oxazepan-4-yl)acetamide
CID 62987910
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 30386021
5-chloro-3-[(2-morpholin-4-ylacetyl)amino]-1-benzofuran-2-carboxamide;hydrochloride
CID 90485107
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 3330372

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-[(2-morpholin-4-ylacetyl)amino]-1,3-dihydroindene-2-carboxylic acid;hydrochloride?
The IUPAC name of 5-(4-chlorophenyl)-2-[(2-morpholin-4-ylacetyl)amino]-1,3-dihydroindene-2-carboxylic acid;hydrochloride (CID 68667168) is 5-(4-chlorophenyl)-2-[(2-morpholin-4-ylacetyl)amino]-1,3-dihydroindene-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-(4-chlorophenyl)-2-[(2-morpholin-4-ylacetyl)amino]-1,3-dihydroindene-2-carboxylic acid;hydrochloride?
The canonical SMILES for 5-(4-chlorophenyl)-2-[(2-morpholin-4-ylacetyl)amino]-1,3-dihydroindene-2-carboxylic acid;hydrochloride is Cl.O=C(CN1CCOCC1)NC1(C(=O)O)Cc2ccc(-c3ccc(Cl)cc3)cc2C1.
What is the InChIKey of 5-(4-chlorophenyl)-2-[(2-morpholin-4-ylacetyl)amino]-1,3-dihydroindene-2-carboxylic acid;hydrochloride?
The InChIKey is NFLGJQFIUZCAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O4.ClH/c23-19-5-3-15(4-6-19)16-1-2-17-12-22(21(27)28,13-18(17)11-16)24-20(26)14-25-7-9-29-10-8-25;/h1-6,11H,7-10,12-14H2,(H,24,26)(H,27,28);1H.
What are the key properties of 5-(4-chlorophenyl)-2-[(2-morpholin-4-ylacetyl)amino]-1,3-dihydroindene-2-carboxylic acid;hydrochloride?
5-(4-chlorophenyl)-2-[(2-morpholin-4-ylacetyl)amino]-1,3-dihydroindene-2-carboxylic acid;hydrochloride has a molecular weight of 451.35 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-[(2-morpholin-4-ylacetyl)amino]-1,3-dihydroindene-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 68667168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).