3-amino-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C16H21Cl3N2O2 — CID 119792586

IUPAC3-amino-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCl.NC1C2CCC(C2)C1C(=O)NCC(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H20Cl2N2O2.ClH/c17-11-4-10(5-12(18)6-11)13(21)7-20-16(22)14-8-1-2-9(3-8)15(14)19;/h4-6,8-9,13-15,21H,1-3,7,19H2,(H,20,22);1H
InChIKeyICSVVNJEUBXHHY-UHFFFAOYSA-N
MW379.72 g/mol
LogP2.94
Rot. Bonds4

About 3-amino-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119792586) has the molecular formula C16H21Cl3N2O2 and a molecular weight of 379.72 g/mol. Its IUPAC name is 3-amino-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119792586
Molecular FormulaC16H21Cl3N2O2
Molecular Weight379.72 g/mol
Exact Mass378.07
IUPAC Name3-amino-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCl.NC1C2CCC(C2)C1C(=O)NCC(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H20Cl2N2O2.ClH/c17-11-4-10(5-12(18)6-11)13(21)7-20-16(22)14-8-1-2-9(3-8)15(14)19;/h4-6,8-9,13-15,21H,1-3,7,19H2,(H,20,22);1H
InChIKeyICSVVNJEUBXHHY-UHFFFAOYSA-N
XLogP2.94
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.72
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119720221
3-amino-N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119800687
3-amino-N-[2-(3,5-dichlorophenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119752651
3-amino-N-[2-(3,5-dichlorophenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119752652
N-[(2S)-2-(3,5-dichlorophenyl)-2-hydroxyethyl]cyclopropanecarboxamide
CID 96501089
3-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119807219
3-amino-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119792588
3-amino-N-[2-(3-chlorophenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119807110
3-amino-N-(2-cyclohexyl-2-hydroxyethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119731702
3-amino-N-[(4-propan-2-ylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119716369
N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-methylpiperidine-4-carboxamide
CID 111539033
(2S,5R)-5-(aminomethyl)-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]oxolane-2-carboxamide
CID 120793942

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119792586) is 3-amino-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is Cl.NC1C2CCC(C2)C1C(=O)NCC(O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-amino-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is ICSVVNJEUBXHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O2.ClH/c17-11-4-10(5-12(18)6-11)13(21)7-20-16(22)14-8-1-2-9(3-8)15(14)19;/h4-6,8-9,13-15,21H,1-3,7,19H2,(H,20,22);1H.
What are the key properties of 3-amino-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 379.72 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119792586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).