(E)-3-[2-(difluoromethoxy)phenyl]-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]prop-2-enamide

C21H24F2N2O3 — CID 52523158

IUPAC(E)-3-[2-(difluoromethoxy)phenyl]-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]prop-2-enamide
SMILESCc1ccc([C@@H](CNC(=O)/C=C/c2ccccc2OC(F)F)N2CCCC2)o1
InChIInChI=1S/C21H24F2N2O3/c1-15-8-10-19(27-15)17(25-12-4-5-13-25)14-24-20(26)11-9-16-6-2-3-7-18(16)28-21(22)23/h2-3,6-11,17,21H,4-5,12-14H2,1H3,(H,24,26)/b11-9+/t17-/m1/s1
InChIKeyLSWYDHJMYTYHBB-QXLXQBSBSA-N
MW390.43 g/mol
LogP4.16
Rot. Bonds8

About (E)-3-[2-(difluoromethoxy)phenyl]-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]prop-2-enamide

(E)-3-[2-(difluoromethoxy)phenyl]-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]prop-2-enamide (PubChem CID 52523158) has the molecular formula C21H24F2N2O3 and a molecular weight of 390.43 g/mol. Its IUPAC name is (E)-3-[2-(difluoromethoxy)phenyl]-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-(difluoromethoxy)phenyl]-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]prop-2-enamide
PubChem CID52523158
Molecular FormulaC21H24F2N2O3
Molecular Weight390.43 g/mol
Exact Mass390.18
IUPAC Name(E)-3-[2-(difluoromethoxy)phenyl]-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]prop-2-enamide
SMILESCc1ccc([C@@H](CNC(=O)/C=C/c2ccccc2OC(F)F)N2CCCC2)o1
InChIInChI=1S/C21H24F2N2O3/c1-15-8-10-19(27-15)17(25-12-4-5-13-25)14-24-20(26)11-9-16-6-2-3-7-18(16)28-21(22)23/h2-3,6-11,17,21H,4-5,12-14H2,1H3,(H,24,26)/b11-9+/t17-/m1/s1
InChIKeyLSWYDHJMYTYHBB-QXLXQBSBSA-N
XLogP4.16
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[2-(difluoromethoxy)phenyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 55519028
1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111865969
N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834523
N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834521
(2S)-2-(2-chlorophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
CID 52515023
(E)-3-(2-methoxy-5-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 46457175
2-(2-chlorophenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 26834691
(E)-3-[2-(difluoromethoxy)phenyl]-N-[[(2R)-4-methylmorpholin-2-yl]methyl]prop-2-enamide
CID 94822453
4-fluoro-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 146052595
N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide
CID 26834553
(E)-3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 134056100
3-(dimethylamino)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
CID 75419402

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(difluoromethoxy)phenyl]-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]prop-2-enamide?
The IUPAC name of (E)-3-[2-(difluoromethoxy)phenyl]-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]prop-2-enamide (CID 52523158) is (E)-3-[2-(difluoromethoxy)phenyl]-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[2-(difluoromethoxy)phenyl]-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]prop-2-enamide?
The canonical SMILES for (E)-3-[2-(difluoromethoxy)phenyl]-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]prop-2-enamide is Cc1ccc([C@@H](CNC(=O)/C=C/c2ccccc2OC(F)F)N2CCCC2)o1.
What is the InChIKey of (E)-3-[2-(difluoromethoxy)phenyl]-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]prop-2-enamide?
The InChIKey is LSWYDHJMYTYHBB-QXLXQBSBSA-N. The full InChI is InChI=1S/C21H24F2N2O3/c1-15-8-10-19(27-15)17(25-12-4-5-13-25)14-24-20(26)11-9-16-6-2-3-7-18(16)28-21(22)23/h2-3,6-11,17,21H,4-5,12-14H2,1H3,(H,24,26)/b11-9+/t17-/m1/s1.
What are the key properties of (E)-3-[2-(difluoromethoxy)phenyl]-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]prop-2-enamide?
(E)-3-[2-(difluoromethoxy)phenyl]-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]prop-2-enamide has a molecular weight of 390.43 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(difluoromethoxy)phenyl]-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]prop-2-enamide is sourced from PubChem (CID 52523158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).