(2R)-N-[3-(difluoromethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide

C13H16F2N2O3 — CID 103794468

IUPAC(2R)-N-[3-(difluoromethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CCCN2)cc1OC(F)F
InChIInChI=1S/C13H16F2N2O3/c1-19-10-5-4-8(7-11(10)20-13(14)15)17-12(18)9-3-2-6-16-9/h4-5,7,9,13,16H,2-3,6H2,1H3,(H,17,18)/t9-/m1/s1
InChIKeyQLXUHXFNSNVWCB-SECBINFHSA-N
MW286.28 g/mol
LogP1.99
Rot. Bonds5

About (2R)-N-[3-(difluoromethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide

(2R)-N-[3-(difluoromethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide (PubChem CID 103794468) has the molecular formula C13H16F2N2O3 and a molecular weight of 286.28 g/mol. Its IUPAC name is (2R)-N-[3-(difluoromethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-(difluoromethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide
PubChem CID103794468
Molecular FormulaC13H16F2N2O3
Molecular Weight286.28 g/mol
Exact Mass286.11
IUPAC Name(2R)-N-[3-(difluoromethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CCCN2)cc1OC(F)F
InChIInChI=1S/C13H16F2N2O3/c1-19-10-5-4-8(7-11(10)20-13(14)15)17-12(18)9-3-2-6-16-9/h4-5,7,9,13,16H,2-3,6H2,1H3,(H,17,18)/t9-/m1/s1
InChIKeyQLXUHXFNSNVWCB-SECBINFHSA-N
XLogP1.99
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)azepane-2-carboxamide
CID 64562794
(2S)-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119673647
N-[4-(difluoromethoxy)-3-fluorophenyl]piperidine-2-carboxamide
CID 60927756
(2R)-N-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 103795109
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
CID 119285265
(2R)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide
CID 104900490
N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide
CID 43712591
(2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide
CID 103808938
(2R)-N-(4-methoxy-3-methylphenyl)piperidine-2-carboxamide
CID 94222952
(2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119717666
(2S)-N-(4-acetamido-3-methoxyphenyl)piperidine-2-carboxamide
CID 103808843
cis-(1S,2R)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 25465638

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(difluoromethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[3-(difluoromethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide (CID 103794468) is (2R)-N-[3-(difluoromethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-(difluoromethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[3-(difluoromethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide is COc1ccc(NC(=O)[C@H]2CCCN2)cc1OC(F)F.
What is the InChIKey of (2R)-N-[3-(difluoromethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide?
The InChIKey is QLXUHXFNSNVWCB-SECBINFHSA-N. The full InChI is InChI=1S/C13H16F2N2O3/c1-19-10-5-4-8(7-11(10)20-13(14)15)17-12(18)9-3-2-6-16-9/h4-5,7,9,13,16H,2-3,6H2,1H3,(H,17,18)/t9-/m1/s1.
What are the key properties of (2R)-N-[3-(difluoromethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide?
(2R)-N-[3-(difluoromethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide has a molecular weight of 286.28 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(difluoromethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 103794468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).