3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C16H21ClF2N2O2 — CID 119689643

IUPAC3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCl.NC1C2CCC(C2)C1C(=O)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H20F2N2O2.ClH/c17-16(18)22-12-5-1-9(2-6-12)8-20-15(21)13-10-3-4-11(7-10)14(13)19;/h1-2,5-6,10-11,13-14,16H,3-4,7-8,19H2,(H,20,21);1H
InChIKeyCSMWHBIUOQOMQN-UHFFFAOYSA-N
MW346.81 g/mol
LogP2.70
Rot. Bonds5

About 3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119689643) has the molecular formula C16H21ClF2N2O2 and a molecular weight of 346.81 g/mol. Its IUPAC name is 3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119689643
Molecular FormulaC16H21ClF2N2O2
Molecular Weight346.81 g/mol
Exact Mass346.13
IUPAC Name3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCl.NC1C2CCC(C2)C1C(=O)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H20F2N2O2.ClH/c17-16(18)22-12-5-1-9(2-6-12)8-20-15(21)13-10-3-4-11(7-10)14(13)19;/h1-2,5-6,10-11,13-14,16H,3-4,7-8,19H2,(H,20,21);1H
InChIKeyCSMWHBIUOQOMQN-UHFFFAOYSA-N
XLogP2.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-[(4-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119675800
3-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119701616
3-amino-N-[(4-propan-2-ylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119716369
3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119700360
3-amino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119699212
3-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119737448
3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119689646
3-amino-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119812538
3-amino-N-[(4-methylsulfanylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119747894
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 64822466
3-amino-N-[2-(4-methoxyphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119725350
3-amino-N-[(3-carbamoylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119719919

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119689643) is 3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is Cl.NC1C2CCC(C2)C1C(=O)NCc1ccc(OC(F)F)cc1.
What is the InChIKey of 3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is CSMWHBIUOQOMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O2.ClH/c17-16(18)22-12-5-1-9(2-6-12)8-20-15(21)13-10-3-4-11(7-10)14(13)19;/h1-2,5-6,10-11,13-14,16H,3-4,7-8,19H2,(H,20,21);1H.
What are the key properties of 3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 346.81 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119689643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).