9-amino-N-[4-(2,2-difluoroethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C18H25ClF2N2O2 — CID 120991717

IUPAC9-amino-N-[4-(2,2-difluoroethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)Nc1ccc(OCC(F)F)cc1)C2
InChIInChI=1S/C18H24F2N2O2.ClH/c19-16(20)10-24-15-6-4-14(5-7-15)22-18(23)13-8-11-2-1-3-12(9-13)17(11)21;/h4-7,11-13,16-17H,1-3,8-10,21H2,(H,22,23);1H
InChIKeySHFBBCLWICLHCX-UHFFFAOYSA-N
MW374.86 g/mol
LogP3.84
Rot. Bonds5

About 9-amino-N-[4-(2,2-difluoroethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-[4-(2,2-difluoroethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120991717) has the molecular formula C18H25ClF2N2O2 and a molecular weight of 374.86 g/mol. Its IUPAC name is 9-amino-N-[4-(2,2-difluoroethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-[4-(2,2-difluoroethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120991717
Molecular FormulaC18H25ClF2N2O2
Molecular Weight374.86 g/mol
Exact Mass374.16
IUPAC Name9-amino-N-[4-(2,2-difluoroethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)Nc1ccc(OCC(F)F)cc1)C2
InChIInChI=1S/C18H24F2N2O2.ClH/c19-16(20)10-24-15-6-4-14(5-7-15)22-18(23)13-8-11-2-1-3-12(9-13)17(11)21;/h4-7,11-13,16-17H,1-3,8-10,21H2,(H,22,23);1H
InChIKeySHFBBCLWICLHCX-UHFFFAOYSA-N
XLogP3.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.86
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 9-amino-N-[4-(2,2-difluoroethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-amino-N-[4-(difluoromethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983579
9-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985118
9-amino-N-[4-(oxan-4-ylmethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990360
9-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986614
9-amino-N-(2H-benzotriazol-5-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991865
9-amino-N-(3-fluoro-4-methoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120986338
N-[4-(acetamidomethyl)phenyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide
CID 120989794
(2S,5R)-5-(aminomethyl)-N-[4-(2,2-difluoroethoxy)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120795411
9-amino-N-[2-[4-(2-methylpropoxy)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120989295
3-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119698618
ethyl 3-[4-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]phenyl]propanoate
CID 120990507
3-amino-N-[4-(difluoromethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119676533

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[4-(2,2-difluoroethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-[4-(2,2-difluoroethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120991717) is 9-amino-N-[4-(2,2-difluoroethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-[4-(2,2-difluoroethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-[4-(2,2-difluoroethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is Cl.NC1C2CCCC1CC(C(=O)Nc1ccc(OCC(F)F)cc1)C2.
What is the InChIKey of 9-amino-N-[4-(2,2-difluoroethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is SHFBBCLWICLHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O2.ClH/c19-16(20)10-24-15-6-4-14(5-7-15)22-18(23)13-8-11-2-1-3-12(9-13)17(11)21;/h4-7,11-13,16-17H,1-3,8-10,21H2,(H,22,23);1H.
What are the key properties of 9-amino-N-[4-(2,2-difluoroethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-[4-(2,2-difluoroethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 374.86 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[4-(2,2-difluoroethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120991717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).