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

C16H22ClFN2O2 — CID 120789561

IUPAC2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NC1CCc2c(F)cccc21)C1CCOCC1
InChIInChI=1S/C16H21FN2O2.ClH/c17-13-3-1-2-12-11(13)4-5-14(12)19-16(20)15(18)10-6-8-21-9-7-10;/h1-3,10,14-15H,4-9,18H2,(H,19,20);1H
InChIKeyNHEKZEQDZJKURB-UHFFFAOYSA-N
MW328.82 g/mol
LogP2.10
Rot. Bonds3

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

2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120789561) has the molecular formula C16H22ClFN2O2 and a molecular weight of 328.82 g/mol. Its IUPAC name is 2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120789561
Molecular FormulaC16H22ClFN2O2
Molecular Weight328.82 g/mol
Exact Mass328.14
IUPAC Name2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NC1CCc2c(F)cccc21)C1CCOCC1
InChIInChI=1S/C16H21FN2O2.ClH/c17-13-3-1-2-12-11(13)4-5-14(12)19-16(20)15(18)10-6-8-21-9-7-10;/h1-3,10,14-15H,4-9,18H2,(H,19,20);1H
InChIKeyNHEKZEQDZJKURB-UHFFFAOYSA-N
XLogP2.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

(2R)-2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propanamide
CID 119302149
2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789365
2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120795893
2-amino-N-(2,3-difluorophenyl)-2-(oxan-4-yl)acetamide
CID 120785988
2-amino-N-[2-(2,6-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787345
2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120790835
(2R)-2-ethoxy-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]propanamide
CID 96538056
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786287
2-amino-N-[2-(2,3-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide
CID 120793248
2-amino-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(oxan-4-yl)acetamide
CID 120787446
2-amino-N-[2-(3-fluorophenyl)cyclopropyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120790129
4-(aminomethyl)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride
CID 120927437

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(oxan-4-yl)acetamide;hydrochloride (CID 120789561) is 2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(oxan-4-yl)acetamide;hydrochloride is Cl.NC(C(=O)NC1CCc2c(F)cccc21)C1CCOCC1.
What is the InChIKey of 2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is NHEKZEQDZJKURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2.ClH/c17-13-3-1-2-12-11(13)4-5-14(12)19-16(20)15(18)10-6-8-21-9-7-10;/h1-3,10,14-15H,4-9,18H2,(H,19,20);1H.
What are the key properties of 2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 328.82 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120789561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).