1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[1-(3,4-difluorophenyl)ethyl]urea

C16H19F2N3O2 — CID 71924034

IUPAC1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[1-(3,4-difluorophenyl)ethyl]urea
SMILESCC(NC(=O)NC1CC(=O)N(C2CC2)C1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H19F2N3O2/c1-9(10-2-5-13(17)14(18)6-10)19-16(23)20-11-7-15(22)21(8-11)12-3-4-12/h2,5-6,9,11-12H,3-4,7-8H2,1H3,(H2,19,20,23)
InChIKeyPFCPUMQPFYFYLT-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.09
Rot. Bonds4

About 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[1-(3,4-difluorophenyl)ethyl]urea

1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[1-(3,4-difluorophenyl)ethyl]urea (PubChem CID 71924034) has the molecular formula C16H19F2N3O2 and a molecular weight of 323.34 g/mol. Its IUPAC name is 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[1-(3,4-difluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[1-(3,4-difluorophenyl)ethyl]urea
PubChem CID71924034
Molecular FormulaC16H19F2N3O2
Molecular Weight323.34 g/mol
Exact Mass323.14
IUPAC Name1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[1-(3,4-difluorophenyl)ethyl]urea
SMILESCC(NC(=O)NC1CC(=O)N(C2CC2)C1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H19F2N3O2/c1-9(10-2-5-13(17)14(18)6-10)19-16(23)20-11-7-15(22)21(8-11)12-3-4-12/h2,5-6,9,11-12H,3-4,7-8H2,1H3,(H2,19,20,23)
InChIKeyPFCPUMQPFYFYLT-UHFFFAOYSA-N
XLogP2.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[1-(3,4-difluorophenyl)ethyl]urea with MolForge

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Related Compounds

1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 48955301
2-[4-[1-(3,4-difluorophenyl)ethylcarbamoylamino]piperidin-1-yl]-N,N-dimethylacetamide
CID 136524638
ethyl 4-[[(1S)-1-(3,4-difluorophenyl)ethyl]carbamoylamino]piperidine-1-carboxylate
CID 51728637
1-(4-chlorophenyl)-3-(1-cyclopropyl-5-oxopyrrolidin-3-yl)urea
CID 110747923
1-(2-adamantyl)-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 112817898
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876809
1-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-(3,5-dimethylphenyl)urea
CID 95985241
1-cyclopentyl-3-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 38163692
1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]urea
CID 95774874
N-[1-(3,4-difluorophenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 112764157
1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea
CID 97096469
1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(1-cyclopentylpiperidin-4-yl)urea
CID 126774275

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[1-(3,4-difluorophenyl)ethyl]urea?
The IUPAC name of 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[1-(3,4-difluorophenyl)ethyl]urea (CID 71924034) is 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[1-(3,4-difluorophenyl)ethyl]urea.
What is the SMILES notation for 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[1-(3,4-difluorophenyl)ethyl]urea?
The canonical SMILES for 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[1-(3,4-difluorophenyl)ethyl]urea is CC(NC(=O)NC1CC(=O)N(C2CC2)C1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[1-(3,4-difluorophenyl)ethyl]urea?
The InChIKey is PFCPUMQPFYFYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O2/c1-9(10-2-5-13(17)14(18)6-10)19-16(23)20-11-7-15(22)21(8-11)12-3-4-12/h2,5-6,9,11-12H,3-4,7-8H2,1H3,(H2,19,20,23).
What are the key properties of 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[1-(3,4-difluorophenyl)ethyl]urea?
1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[1-(3,4-difluorophenyl)ethyl]urea has a molecular weight of 323.34 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-[1-(3,4-difluorophenyl)ethyl]urea is sourced from PubChem (CID 71924034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).