(3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(3,4-difluorophenyl)morpholin-4-yl]methanone

C18H22F2N2O2 — CID 119769794

IUPAC(3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(3,4-difluorophenyl)morpholin-4-yl]methanone
SMILESNC1C2CCC(C2)C1C(=O)N1CCOC(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C18H22F2N2O2/c19-13-4-3-10(8-14(13)20)15-9-22(5-6-24-15)18(23)16-11-1-2-12(7-11)17(16)21/h3-4,8,11-12,15-17H,1-2,5-7,9,21H2
InChIKeyZBAHCXOSBKFMKO-UHFFFAOYSA-N
MW336.38 g/mol
LogP2.24
Rot. Bonds2

About (3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(3,4-difluorophenyl)morpholin-4-yl]methanone

(3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(3,4-difluorophenyl)morpholin-4-yl]methanone (PubChem CID 119769794) has the molecular formula C18H22F2N2O2 and a molecular weight of 336.38 g/mol. Its IUPAC name is (3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(3,4-difluorophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(3,4-difluorophenyl)morpholin-4-yl]methanone
PubChem CID119769794
Molecular FormulaC18H22F2N2O2
Molecular Weight336.38 g/mol
Exact Mass336.16
IUPAC Name(3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(3,4-difluorophenyl)morpholin-4-yl]methanone
SMILESNC1C2CCC(C2)C1C(=O)N1CCOC(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C18H22F2N2O2/c19-13-4-3-10(8-14(13)20)15-9-22(5-6-24-15)18(23)16-11-1-2-12(7-11)17(16)21/h3-4,8,11-12,15-17H,1-2,5-7,9,21H2
InChIKeyZBAHCXOSBKFMKO-UHFFFAOYSA-N
XLogP2.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(3,4-difluorophenyl)morpholin-4-yl]methanone with MolForge

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Related Compounds

(3-amino-2-bicyclo[2.2.1]heptanyl)-(2-phenylmorpholin-4-yl)methanone
CID 119703767
(3-amino-2-bicyclo[2.2.1]heptanyl)-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride
CID 119757300
2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119315578
(3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 119874237
(2S)-2-(3,4-difluorophenyl)-N-[(1R,2R)-2-methylcyclopropyl]morpholine-4-carboxamide
CID 129425263
[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
CID 124605948
[2-(3,4-difluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120930572
3-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-methyl-3-oxopropanoic acid
CID 122065502
N-[4-[2-(3,4-difluorophenyl)morpholine-4-carbonyl]cyclohexyl]prop-2-enamide
CID 172888533
2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 120668196
2-(3,4-difluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
CID 126774661
(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride
CID 120988782

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(3,4-difluorophenyl)morpholin-4-yl]methanone?
The IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(3,4-difluorophenyl)morpholin-4-yl]methanone (CID 119769794) is (3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(3,4-difluorophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for (3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(3,4-difluorophenyl)morpholin-4-yl]methanone?
The canonical SMILES for (3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(3,4-difluorophenyl)morpholin-4-yl]methanone is NC1C2CCC(C2)C1C(=O)N1CCOC(c2ccc(F)c(F)c2)C1.
What is the InChIKey of (3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(3,4-difluorophenyl)morpholin-4-yl]methanone?
The InChIKey is ZBAHCXOSBKFMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O2/c19-13-4-3-10(8-14(13)20)15-9-22(5-6-24-15)18(23)16-11-1-2-12(7-11)17(16)21/h3-4,8,11-12,15-17H,1-2,5-7,9,21H2.
What are the key properties of (3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(3,4-difluorophenyl)morpholin-4-yl]methanone?
(3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(3,4-difluorophenyl)morpholin-4-yl]methanone has a molecular weight of 336.38 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(3,4-difluorophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 119769794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).