2-amino-N-[2-(3-fluorophenyl)cyclopropyl]-2-(oxan-4-yl)acetamide;hydrochloride

C16H22ClFN2O2 — CID 120790129

IUPAC2-amino-N-[2-(3-fluorophenyl)cyclopropyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NC1CC1c1cccc(F)c1)C1CCOCC1
InChIInChI=1S/C16H21FN2O2.ClH/c17-12-3-1-2-11(8-12)13-9-14(13)19-16(20)15(18)10-4-6-21-7-5-10;/h1-3,8,10,13-15H,4-7,9,18H2,(H,19,20);1H
InChIKeyOGYPGLYPEFWLQT-UHFFFAOYSA-N
MW328.82 g/mol
LogP1.97
Rot. Bonds4

About 2-amino-N-[2-(3-fluorophenyl)cyclopropyl]-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-[2-(3-fluorophenyl)cyclopropyl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120790129) has the molecular formula C16H22ClFN2O2 and a molecular weight of 328.82 g/mol. Its IUPAC name is 2-amino-N-[2-(3-fluorophenyl)cyclopropyl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(3-fluorophenyl)cyclopropyl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120790129
Molecular FormulaC16H22ClFN2O2
Molecular Weight328.82 g/mol
Exact Mass328.14
IUPAC Name2-amino-N-[2-(3-fluorophenyl)cyclopropyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NC1CC1c1cccc(F)c1)C1CCOCC1
InChIInChI=1S/C16H21FN2O2.ClH/c17-12-3-1-2-11(8-12)13-9-14(13)19-16(20)15(18)10-4-6-21-7-5-10;/h1-3,8,10,13-15H,4-7,9,18H2,(H,19,20);1H
InChIKeyOGYPGLYPEFWLQT-UHFFFAOYSA-N
XLogP1.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[2-(3-fluorophenyl)cyclopropyl]propanamide
CID 119305805
2-amino-N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785705
4-(aminomethyl)-N-[2-(3-fluorophenyl)cyclopropyl]oxane-4-carboxamide
CID 120928202
(2R)-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]-2-propan-2-ylsulfonylpropanamide
CID 95179447
(2R)-N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]-2-propan-2-ylsulfonylpropanamide
CID 124734525
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120791793
1-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 129380118
2-(dimethylamino)-N-[2-(3-fluorophenyl)cyclopropyl]-2-phenylacetamide
CID 71883326
2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789561
(3R)-N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]morpholine-3-carboxamide
CID 129425298
N-[2-(3-fluorophenyl)cyclopropyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 75364366
2-amino-N-(4-fluoro-2-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120783512

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-fluorophenyl)cyclopropyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(3-fluorophenyl)cyclopropyl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120790129) is 2-amino-N-[2-(3-fluorophenyl)cyclopropyl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(3-fluorophenyl)cyclopropyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(3-fluorophenyl)cyclopropyl]-2-(oxan-4-yl)acetamide;hydrochloride is Cl.NC(C(=O)NC1CC1c1cccc(F)c1)C1CCOCC1.
What is the InChIKey of 2-amino-N-[2-(3-fluorophenyl)cyclopropyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is OGYPGLYPEFWLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2.ClH/c17-12-3-1-2-11(8-12)13-9-14(13)19-16(20)15(18)10-4-6-21-7-5-10;/h1-3,8,10,13-15H,4-7,9,18H2,(H,19,20);1H.
What are the key properties of 2-amino-N-[2-(3-fluorophenyl)cyclopropyl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[2-(3-fluorophenyl)cyclopropyl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 328.82 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-fluorophenyl)cyclopropyl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120790129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).