N-[(2R)-2-(2,4-difluorophenyl)propyl]-1,4-diazabicyclo[3.2.2]nonane-4-carboxamide

C17H23F2N3O — CID 100641141

IUPACN-[(2R)-2-(2,4-difluorophenyl)propyl]-1,4-diazabicyclo[3.2.2]nonane-4-carboxamide
SMILESC[C@@H](CNC(=O)N1CCN2CCC1CC2)c1ccc(F)cc1F
InChIInChI=1S/C17H23F2N3O/c1-12(15-3-2-13(18)10-16(15)19)11-20-17(23)22-9-8-21-6-4-14(22)5-7-21/h2-3,10,12,14H,4-9,11H2,1H3,(H,20,23)/t12-/m0/s1
InChIKeyQUDLODDXVQAVSW-LBPRGKRZSA-N
MW323.39 g/mol
LogP2.56
Rot. Bonds3

About N-[(2R)-2-(2,4-difluorophenyl)propyl]-1,4-diazabicyclo[3.2.2]nonane-4-carboxamide

N-[(2R)-2-(2,4-difluorophenyl)propyl]-1,4-diazabicyclo[3.2.2]nonane-4-carboxamide (PubChem CID 100641141) has the molecular formula C17H23F2N3O and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[(2R)-2-(2,4-difluorophenyl)propyl]-1,4-diazabicyclo[3.2.2]nonane-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(2,4-difluorophenyl)propyl]-1,4-diazabicyclo[3.2.2]nonane-4-carboxamide
PubChem CID100641141
Molecular FormulaC17H23F2N3O
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC NameN-[(2R)-2-(2,4-difluorophenyl)propyl]-1,4-diazabicyclo[3.2.2]nonane-4-carboxamide
SMILESC[C@@H](CNC(=O)N1CCN2CCC1CC2)c1ccc(F)cc1F
InChIInChI=1S/C17H23F2N3O/c1-12(15-3-2-13(18)10-16(15)19)11-20-17(23)22-9-8-21-6-4-14(22)5-7-21/h2-3,10,12,14H,4-9,11H2,1H3,(H,20,23)/t12-/m0/s1
InChIKeyQUDLODDXVQAVSW-LBPRGKRZSA-N
XLogP2.56
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2R)-2-(2,4-difluorophenyl)propyl]-1,4-diazabicyclo[3.2.2]nonane-4-carboxamide with MolForge

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Related Compounds

(3S)-N-[(2S)-2-(2,4-difluorophenyl)propyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95969197
1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-[2-(2,4-difluorophenyl)propyl]urea
CID 132971826
1-[2-(2,4-difluorophenyl)propyl]-3-(2-hydroxyethyl)urea
CID 111474156
3-amino-N-[2-(2,4-difluorophenyl)propyl]butanamide;hydrochloride
CID 119780239
1-(2-cyclopropyloxan-4-yl)-3-[2-(2,4-difluorophenyl)propyl]urea
CID 86793358
N-[1-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427674
(3aS,8aR)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine-6-carboxamide
CID 154760666
1-[2-(2,4-difluorophenyl)propyl]-2,3-dimethylguanidine
CID 86777925
[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium
CID 9369442
N-[(2R)-2-(2,4-difluorophenyl)propyl]-2-(2-hydroxyphenoxy)acetamide
CID 97237658
(4-fluorophenyl) 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate
CID 45269230
(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 95058074

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2,4-difluorophenyl)propyl]-1,4-diazabicyclo[3.2.2]nonane-4-carboxamide?
The IUPAC name of N-[(2R)-2-(2,4-difluorophenyl)propyl]-1,4-diazabicyclo[3.2.2]nonane-4-carboxamide (CID 100641141) is N-[(2R)-2-(2,4-difluorophenyl)propyl]-1,4-diazabicyclo[3.2.2]nonane-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-(2,4-difluorophenyl)propyl]-1,4-diazabicyclo[3.2.2]nonane-4-carboxamide?
The canonical SMILES for N-[(2R)-2-(2,4-difluorophenyl)propyl]-1,4-diazabicyclo[3.2.2]nonane-4-carboxamide is C[C@@H](CNC(=O)N1CCN2CCC1CC2)c1ccc(F)cc1F.
What is the InChIKey of N-[(2R)-2-(2,4-difluorophenyl)propyl]-1,4-diazabicyclo[3.2.2]nonane-4-carboxamide?
The InChIKey is QUDLODDXVQAVSW-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H23F2N3O/c1-12(15-3-2-13(18)10-16(15)19)11-20-17(23)22-9-8-21-6-4-14(22)5-7-21/h2-3,10,12,14H,4-9,11H2,1H3,(H,20,23)/t12-/m0/s1.
What are the key properties of N-[(2R)-2-(2,4-difluorophenyl)propyl]-1,4-diazabicyclo[3.2.2]nonane-4-carboxamide?
N-[(2R)-2-(2,4-difluorophenyl)propyl]-1,4-diazabicyclo[3.2.2]nonane-4-carboxamide has a molecular weight of 323.39 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2,4-difluorophenyl)propyl]-1,4-diazabicyclo[3.2.2]nonane-4-carboxamide is sourced from PubChem (CID 100641141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).