3-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C17H24Cl2N2O2 — CID 119807219

IUPAC3-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCOC(CNC(=O)C1C2CCC(C2)C1N)c1cccc(Cl)c1.Cl
InChIInChI=1S/C17H23ClN2O2.ClH/c1-22-14(10-3-2-4-13(18)8-10)9-20-17(21)15-11-5-6-12(7-11)16(15)19;/h2-4,8,11-12,14-16H,5-7,9,19H2,1H3,(H,20,21);1H
InChIKeyMMIATVGSXLIJJF-UHFFFAOYSA-N
MW359.30 g/mol
LogP2.94
Rot. Bonds5

About 3-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119807219) has the molecular formula C17H24Cl2N2O2 and a molecular weight of 359.30 g/mol. Its IUPAC name is 3-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119807219
Molecular FormulaC17H24Cl2N2O2
Molecular Weight359.30 g/mol
Exact Mass358.12
IUPAC Name3-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCOC(CNC(=O)C1C2CCC(C2)C1N)c1cccc(Cl)c1.Cl
InChIInChI=1S/C17H23ClN2O2.ClH/c1-22-14(10-3-2-4-13(18)8-10)9-20-17(21)15-11-5-6-12(7-11)16(15)19;/h2-4,8,11-12,14-16H,5-7,9,19H2,1H3,(H,20,21);1H
InChIKeyMMIATVGSXLIJJF-UHFFFAOYSA-N
XLogP2.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119807217
3-amino-N-[2-(3-chlorophenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119807110
3-amino-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119792586
2-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]acetamide;hydrochloride
CID 119337049
trans-(1R,2R)-N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-phenylcyclopropane-1-carboxamide
CID 172583738
N-[2-(3-chlorophenyl)-2-methoxyethyl]triazolidine-4-carboxamide
CID 134068515
3-amino-N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119800687
3-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119720221
3-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-1-cyclopropyl-1-methylurea
CID 95969088
3-amino-N-[2-(4-methoxyphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119725350
3-amino-N-[2-(2-methoxyphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119804798
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-5-methylpyrazine-2-carboxamide
CID 96568600

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119807219) is 3-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is COC(CNC(=O)C1C2CCC(C2)C1N)c1cccc(Cl)c1.Cl.
What is the InChIKey of 3-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is MMIATVGSXLIJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2.ClH/c1-22-14(10-3-2-4-13(18)8-10)9-20-17(21)15-11-5-6-12(7-11)16(15)19;/h2-4,8,11-12,14-16H,5-7,9,19H2,1H3,(H,20,21);1H.
What are the key properties of 3-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 359.30 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119807219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).