N-[(2,4-dichlorophenyl)methyl]-3-phenoxy-8-azabicyclo[3.2.1]octane-8-carboxamide

C21H22Cl2N2O2 — CID 66927664

IUPACN-[(2,4-dichlorophenyl)methyl]-3-phenoxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1C2CCC1CC(Oc1ccccc1)C2
InChIInChI=1S/C21H22Cl2N2O2/c22-15-7-6-14(20(23)10-15)13-24-21(26)25-16-8-9-17(25)12-19(11-16)27-18-4-2-1-3-5-18/h1-7,10,16-17,19H,8-9,11-13H2,(H,24,26)
InChIKeyJTEAWFOYUQCBJY-UHFFFAOYSA-N
MW405.33 g/mol
LogP5.28
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methyl]-3-phenoxy-8-azabicyclo[3.2.1]octane-8-carboxamide

N-[(2,4-dichlorophenyl)methyl]-3-phenoxy-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 66927664) has the molecular formula C21H22Cl2N2O2 and a molecular weight of 405.33 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-3-phenoxy-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-3-phenoxy-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID66927664
Molecular FormulaC21H22Cl2N2O2
Molecular Weight405.33 g/mol
Exact Mass404.11
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-3-phenoxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1C2CCC1CC(Oc1ccccc1)C2
InChIInChI=1S/C21H22Cl2N2O2/c22-15-7-6-14(20(23)10-15)13-24-21(26)25-16-8-9-17(25)12-19(11-16)27-18-4-2-1-3-5-18/h1-7,10,16-17,19H,8-9,11-13H2,(H,24,26)
InChIKeyJTEAWFOYUQCBJY-UHFFFAOYSA-N
XLogP5.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.33
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,4-dichlorophenyl)methyl]-3-phenoxy-8-azabicyclo[3.2.1]octane-8-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

3-[2-chloro-4-[2-(methanesulfonamido)-2-oxoethyl]phenoxy]-N-[(2,4-dichlorophenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 66927449
4-(4-chlorophenoxy)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide
CID 24748603
(1S,5S)-N-(pyridin-3-ylmethyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 129416273
(2S)-1-N,2-N-bis[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxamide
CID 139551537
(2R)-1-benzyl-N-[(2,4-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide
CID 71454380
N-[(2,4-dichlorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55967139
6-benzoyl-N-[(2,4-dichlorophenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxamide
CID 71554897
N-(2-chlorophenyl)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121186682
(3R)-3-amino-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide
CID 126422673
N-[(2,4-dichlorophenyl)methyl]-5-oxo-3-phenyl-1,2-oxazole-2-carboxamide
CID 59370592
(1R,5S)-3-acetyl-N-[(2,4-dichlorophenyl)methyl]-3,6-diazabicyclo[3.2.2]nonane-6-carboxamide
CID 133127043
N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119263502

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-phenoxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-phenoxy-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 66927664) is N-[(2,4-dichlorophenyl)methyl]-3-phenoxy-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-3-phenoxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-3-phenoxy-8-azabicyclo[3.2.1]octane-8-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)N1C2CCC1CC(Oc1ccccc1)C2.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-3-phenoxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is JTEAWFOYUQCBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N2O2/c22-15-7-6-14(20(23)10-15)13-24-21(26)25-16-8-9-17(25)12-19(11-16)27-18-4-2-1-3-5-18/h1-7,10,16-17,19H,8-9,11-13H2,(H,24,26).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-3-phenoxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-3-phenoxy-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 405.33 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-3-phenoxy-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 66927664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).