2-amino-N-[(2,4-dichlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride

C14H19Cl3N2O2 — CID 120783069

IUPAC2-amino-N-[(2,4-dichlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NCc1ccc(Cl)cc1Cl)C1CCOCC1
InChIInChI=1S/C14H18Cl2N2O2.ClH/c15-11-2-1-10(12(16)7-11)8-18-14(19)13(17)9-3-5-20-6-4-9;/h1-2,7,9,13H,3-6,8,17H2,(H,18,19);1H
InChIKeyRHXHELQGYRCHAT-UHFFFAOYSA-N
MW353.68 g/mol
LogP2.79
Rot. Bonds4

About 2-amino-N-[(2,4-dichlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-[(2,4-dichlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120783069) has the molecular formula C14H19Cl3N2O2 and a molecular weight of 353.68 g/mol. Its IUPAC name is 2-amino-N-[(2,4-dichlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(2,4-dichlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120783069
Molecular FormulaC14H19Cl3N2O2
Molecular Weight353.68 g/mol
Exact Mass352.05
IUPAC Name2-amino-N-[(2,4-dichlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NCc1ccc(Cl)cc1Cl)C1CCOCC1
InChIInChI=1S/C14H18Cl2N2O2.ClH/c15-11-2-1-10(12(16)7-11)8-18-14(19)13(17)9-3-5-20-6-4-9;/h1-2,7,9,13H,3-6,8,17H2,(H,18,19);1H
InChIKeyRHXHELQGYRCHAT-UHFFFAOYSA-N
XLogP2.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.68
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120795791
2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120795550
2-amino-N-(naphthalen-1-ylmethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786171
2-amino-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120793827
N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-4-chlorobenzamide;hydrochloride
CID 120785571
2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784239
2-amino-N-[2-(2,6-dichlorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789587
2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide
CID 120784240
2-amino-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787921
2-amino-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(oxan-4-yl)acetamide
CID 120787188
2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2,4-dichlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[(2,4-dichlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120783069) is 2-amino-N-[(2,4-dichlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(2,4-dichlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(2,4-dichlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride is Cl.NC(C(=O)NCc1ccc(Cl)cc1Cl)C1CCOCC1.
What is the InChIKey of 2-amino-N-[(2,4-dichlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is RHXHELQGYRCHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2.ClH/c15-11-2-1-10(12(16)7-11)8-18-14(19)13(17)9-3-5-20-6-4-9;/h1-2,7,9,13H,3-6,8,17H2,(H,18,19);1H.
What are the key properties of 2-amino-N-[(2,4-dichlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[(2,4-dichlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 353.68 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2,4-dichlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120783069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).