3-[(3S)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-1-(furan-2-ylmethyl)-1-methylurea

C17H17F2N3O3 — CID 124592979

IUPAC3-[(3S)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-1-(furan-2-ylmethyl)-1-methylurea
SMILESCN(Cc1ccco1)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O
InChIInChI=1S/C17H17F2N3O3/c1-21(10-11-4-3-9-25-11)17(24)20-14-7-8-22(16(14)23)15-12(18)5-2-6-13(15)19/h2-6,9,14H,7-8,10H2,1H3,(H,20,24)/t14-/m0/s1
InChIKeyJAAKSXDYDUSQCN-AWEZNQCLSA-N
MW349.34 g/mol
LogP2.50
Rot. Bonds4

About 3-[(3S)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-1-(furan-2-ylmethyl)-1-methylurea

3-[(3S)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-1-(furan-2-ylmethyl)-1-methylurea (PubChem CID 124592979) has the molecular formula C17H17F2N3O3 and a molecular weight of 349.34 g/mol. Its IUPAC name is 3-[(3S)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-1-(furan-2-ylmethyl)-1-methylurea.

Molecular Properties

Compound Name3-[(3S)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-1-(furan-2-ylmethyl)-1-methylurea
PubChem CID124592979
Molecular FormulaC17H17F2N3O3
Molecular Weight349.34 g/mol
Exact Mass349.12
IUPAC Name3-[(3S)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-1-(furan-2-ylmethyl)-1-methylurea
SMILESCN(Cc1ccco1)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O
InChIInChI=1S/C17H17F2N3O3/c1-21(10-11-4-3-9-25-11)17(24)20-14-7-8-22(16(14)23)15-12(18)5-2-6-13(15)19/h2-6,9,14H,7-8,10H2,1H3,(H,20,24)/t14-/m0/s1
InChIKeyJAAKSXDYDUSQCN-AWEZNQCLSA-N
XLogP2.50
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(3S)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-1-(furan-2-ylmethyl)-1-methylurea with MolForge

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Related Compounds

cis-(1R,2S)-N-[(3R)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 97053616
N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(2-methoxyethylamino)acetamide
CID 119814096
2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-methylpentanamide;hydrochloride
CID 119814099
1-(furan-2-ylmethyl)-3-(1-methyl-2-oxopyrrolidin-3-yl)-1-(pyridin-4-ylmethyl)urea
CID 122561606
2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120795893
1-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-methyl-2-oxopyrrolidine-3-carboxamide
CID 42863375
2-fluoro-6-[furan-2-ylmethyl(methyl)amino]benzoic acid
CID 79522283
5-[[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid
CID 119159997
1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]urea
CID 146088616
3-[1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]-1-(2,2-difluoroethyl)-1-methylurea
CID 75436656
4-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid
CID 66250151
1-(furan-2-ylmethyl)-3-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1-methylurea
CID 56824790

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-1-(furan-2-ylmethyl)-1-methylurea?
The IUPAC name of 3-[(3S)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-1-(furan-2-ylmethyl)-1-methylurea (CID 124592979) is 3-[(3S)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-1-(furan-2-ylmethyl)-1-methylurea.
What is the SMILES notation for 3-[(3S)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-1-(furan-2-ylmethyl)-1-methylurea?
The canonical SMILES for 3-[(3S)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-1-(furan-2-ylmethyl)-1-methylurea is CN(Cc1ccco1)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O.
What is the InChIKey of 3-[(3S)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-1-(furan-2-ylmethyl)-1-methylurea?
The InChIKey is JAAKSXDYDUSQCN-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H17F2N3O3/c1-21(10-11-4-3-9-25-11)17(24)20-14-7-8-22(16(14)23)15-12(18)5-2-6-13(15)19/h2-6,9,14H,7-8,10H2,1H3,(H,20,24)/t14-/m0/s1.
What are the key properties of 3-[(3S)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-1-(furan-2-ylmethyl)-1-methylurea?
3-[(3S)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-1-(furan-2-ylmethyl)-1-methylurea has a molecular weight of 349.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-1-(furan-2-ylmethyl)-1-methylurea is sourced from PubChem (CID 124592979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).