2-amino-N-(3-chlorophenyl)-2-(oxan-4-yl)acetamide

C13H17ClN2O2 — CID 120782718

IUPAC2-amino-N-(3-chlorophenyl)-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)Nc1cccc(Cl)c1)C1CCOCC1
InChIInChI=1S/C13H17ClN2O2/c14-10-2-1-3-11(8-10)16-13(17)12(15)9-4-6-18-7-5-9/h1-3,8-9,12H,4-7,15H2,(H,16,17)
InChIKeyLUAAHJPUJPWUTL-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.03
Rot. Bonds3

About 2-amino-N-(3-chlorophenyl)-2-(oxan-4-yl)acetamide

2-amino-N-(3-chlorophenyl)-2-(oxan-4-yl)acetamide (PubChem CID 120782718) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-amino-N-(3-chlorophenyl)-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(3-chlorophenyl)-2-(oxan-4-yl)acetamide
PubChem CID120782718
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name2-amino-N-(3-chlorophenyl)-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)Nc1cccc(Cl)c1)C1CCOCC1
InChIInChI=1S/C13H17ClN2O2/c14-10-2-1-3-11(8-10)16-13(17)12(15)9-4-6-18-7-5-9/h1-3,8-9,12H,4-7,15H2,(H,16,17)
InChIKeyLUAAHJPUJPWUTL-UHFFFAOYSA-N
XLogP2.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120782660
N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782773
2-amino-N-[3-(4-chlorophenyl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120795787
2-amino-2-(oxan-4-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 120784140
2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide
CID 120784240
2-amino-N-(3-ethylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783163
2-amino-N-(3,4-difluorophenyl)-2-(oxan-4-yl)acetamide
CID 120782962
2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784239
2-amino-N-[3-(1,3-dithiolan-2-yl)phenyl]-2-(oxan-4-yl)acetamide
CID 120784582
N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-4-chlorobenzamide;hydrochloride
CID 120789553
2-amino-2-(oxan-4-yl)-N-[3-(propylsulfonylamino)phenyl]acetamide
CID 120794168
2-amino-N-[3-(benzenesulfonamido)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786313

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-chlorophenyl)-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-(3-chlorophenyl)-2-(oxan-4-yl)acetamide (CID 120782718) is 2-amino-N-(3-chlorophenyl)-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(3-chlorophenyl)-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(3-chlorophenyl)-2-(oxan-4-yl)acetamide is NC(C(=O)Nc1cccc(Cl)c1)C1CCOCC1.
What is the InChIKey of 2-amino-N-(3-chlorophenyl)-2-(oxan-4-yl)acetamide?
The InChIKey is LUAAHJPUJPWUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-10-2-1-3-11(8-10)16-13(17)12(15)9-4-6-18-7-5-9/h1-3,8-9,12H,4-7,15H2,(H,16,17).
What are the key properties of 2-amino-N-(3-chlorophenyl)-2-(oxan-4-yl)acetamide?
2-amino-N-(3-chlorophenyl)-2-(oxan-4-yl)acetamide has a molecular weight of 268.74 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-chlorophenyl)-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120782718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).