2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-(oxan-4-yl)acetamide;hydrochloride

C16H22Cl2N2O2 — CID 120789365

IUPAC2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NC1CCc2cc(Cl)ccc21)C1CCOCC1
InChIInChI=1S/C16H21ClN2O2.ClH/c17-12-2-3-13-11(9-12)1-4-14(13)19-16(20)15(18)10-5-7-21-8-6-10;/h2-3,9-10,14-15H,1,4-8,18H2,(H,19,20);1H
InChIKeyQLWGFWCIZUGIKK-UHFFFAOYSA-N
MW345.27 g/mol
LogP2.62
Rot. Bonds3

About 2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120789365) has the molecular formula C16H22Cl2N2O2 and a molecular weight of 345.27 g/mol. Its IUPAC name is 2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120789365
Molecular FormulaC16H22Cl2N2O2
Molecular Weight345.27 g/mol
Exact Mass344.11
IUPAC Name2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NC1CCc2cc(Cl)ccc21)C1CCOCC1
InChIInChI=1S/C16H21ClN2O2.ClH/c17-12-2-3-13-11(9-12)1-4-14(13)19-16(20)15(18)10-5-7-21-8-6-10;/h2-3,9-10,14-15H,1,4-8,18H2,(H,19,20);1H
InChIKeyQLWGFWCIZUGIKK-UHFFFAOYSA-N
XLogP2.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-(oxan-4-yl)acetamide;hydrochloride with MolForge

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Related Compounds

(2S)-2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)propanamide;hydrochloride
CID 119300803
2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789561
2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120790835
2-amino-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(oxan-4-yl)acetamide
CID 120787446
2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-methoxypropanamide
CID 120987352
1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclopropane-1-carboxamide
CID 91645508
2-amino-N-(3-chlorophenyl)-2-(oxan-4-yl)acetamide
CID 120782718
2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)acetamide
CID 119300808
1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119300825
1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclopentane-1-carboxamide
CID 119300818
2-amino-N-[(2,4-dichlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783069
(2R)-N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-methyloxolane-2-carboxamide
CID 96537558

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-(oxan-4-yl)acetamide;hydrochloride (CID 120789365) is 2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-(oxan-4-yl)acetamide;hydrochloride is Cl.NC(C(=O)NC1CCc2cc(Cl)ccc21)C1CCOCC1.
What is the InChIKey of 2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is QLWGFWCIZUGIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2.ClH/c17-12-2-3-13-11(9-12)1-4-14(13)19-16(20)15(18)10-5-7-21-8-6-10;/h2-3,9-10,14-15H,1,4-8,18H2,(H,19,20);1H.
What are the key properties of 2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 345.27 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120789365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).