N-[2-(2-chlorophenyl)ethyl]-8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxamide

C16H21ClN2O2 — CID 156608867

IUPACN-[2-(2-chlorophenyl)ethyl]-8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxamide
SMILESO=C(NCCc1ccccc1Cl)N1CC2CCC(C1)C2O
InChIInChI=1S/C16H21ClN2O2/c17-14-4-2-1-3-11(14)7-8-18-16(21)19-9-12-5-6-13(10-19)15(12)20/h1-4,12-13,15,20H,5-10H2,(H,18,21)
InChIKeyUKPKTGQENUWVIR-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.29
Rot. Bonds3

About N-[2-(2-chlorophenyl)ethyl]-8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxamide

N-[2-(2-chlorophenyl)ethyl]-8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxamide (PubChem CID 156608867) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)ethyl]-8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxamide
PubChem CID156608867
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC NameN-[2-(2-chlorophenyl)ethyl]-8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxamide
SMILESO=C(NCCc1ccccc1Cl)N1CC2CCC(C1)C2O
InChIInChI=1S/C16H21ClN2O2/c17-14-4-2-1-3-11(14)7-8-18-16(21)19-9-12-5-6-13(10-19)15(12)20/h1-4,12-13,15,20H,5-10H2,(H,18,21)
InChIKeyUKPKTGQENUWVIR-UHFFFAOYSA-N
XLogP2.29
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(2-chlorophenyl)ethyl]-8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxamide 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

N-[2-(2-chlorophenyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 60595547
tert-butyl 4-[2-(2-chlorophenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 108900441
N-[2-(2-chlorophenyl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 60595878
N-[2-(2-chlorophenyl)ethyl]-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide
CID 166370560
N-[2-(2-chlorophenyl)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 108900383
N-[(2-chlorophenyl)methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108897666
2-(2-chlorophenyl)-N-(cyclopropylmethyl)ethanamine
CID 60984047
1-[2-(2-chlorophenyl)ethyl]-3-[(E)-2-cyclopentylethenyl]urea
CID 108911956
1-[2-(2-chlorophenyl)ethyl]-3-(cyclohexylmethyl)urea
CID 108903046
N-[2-(2-fluorophenyl)ethyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108900039
(2S)-2-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684847
3-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684846

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)ethyl]-8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxamide (CID 156608867) is N-[2-(2-chlorophenyl)ethyl]-8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]-8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxamide is O=C(NCCc1ccccc1Cl)N1CC2CCC(C1)C2O.
What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]-8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxamide?
The InChIKey is UKPKTGQENUWVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c17-14-4-2-1-3-11(14)7-8-18-16(21)19-9-12-5-6-13(10-19)15(12)20/h1-4,12-13,15,20H,5-10H2,(H,18,21).
What are the key properties of N-[2-(2-chlorophenyl)ethyl]-8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxamide?
N-[2-(2-chlorophenyl)ethyl]-8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxamide has a molecular weight of 308.81 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)ethyl]-8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxamide is sourced from PubChem (CID 156608867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).