N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride

C15H21Cl2F2N3O2 — CID 119899460

IUPACN-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCN(c2c(F)cccc2F)C1)C1CNCCO1
InChIInChI=1S/C15H19F2N3O2.2ClH/c16-11-2-1-3-12(17)14(11)20-6-4-10(9-20)19-15(21)13-8-18-5-7-22-13;;/h1-3,10,13,18H,4-9H2,(H,19,21);2*1H
InChIKeyBPCNASGSCZDKSE-UHFFFAOYSA-N
MW384.25 g/mol
LogP1.49
Rot. Bonds3

About N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride

N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride (PubChem CID 119899460) has the molecular formula C15H21Cl2F2N3O2 and a molecular weight of 384.25 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride
PubChem CID119899460
Molecular FormulaC15H21Cl2F2N3O2
Molecular Weight384.25 g/mol
Exact Mass383.10
IUPAC NameN-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCN(c2c(F)cccc2F)C1)C1CNCCO1
InChIInChI=1S/C15H19F2N3O2.2ClH/c16-11-2-1-3-12(17)14(11)20-6-4-10(9-20)19-15(21)13-8-18-5-7-22-13;;/h1-3,10,13,18H,4-9H2,(H,19,21);2*1H
InChIKeyBPCNASGSCZDKSE-UHFFFAOYSA-N
XLogP1.49
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.25
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 154903636
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CID 119827619
N-[1-(3-phenylpropanoyl)piperidin-4-yl]morpholine-2-carboxamide;hydrochloride
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3-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide
CID 119899423
(2S)-N-cyclopentylmorpholine-2-carboxamide
CID 92614945
N-[1-(4-methylbenzoyl)piperidin-4-yl]morpholine-2-carboxamide
CID 119770095
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]morpholine-2-carboxamide;hydrochloride
CID 119699511
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]morpholine-2-carboxamide
CID 119840351
2-(3-acetamidopyrrolidin-1-yl)-3-fluorobenzoic acid
CID 113402378
N-(1-cyclohexylpiperidin-4-yl)morpholine-2-carboxamide
CID 119895208
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)morpholine-2-carboxamide;dihydrochloride
CID 119854357

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride (CID 119899460) is N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NC1CCN(c2c(F)cccc2F)C1)C1CNCCO1.
What is the InChIKey of N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride?
The InChIKey is BPCNASGSCZDKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O2.2ClH/c16-11-2-1-3-12(17)14(11)20-6-4-10(9-20)19-15(21)13-8-18-5-7-22-13;;/h1-3,10,13,18H,4-9H2,(H,19,21);2*1H.
What are the key properties of N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride?
N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride has a molecular weight of 384.25 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119899460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).