1-(3-chloro-2-fluorophenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea

C18H16ClF2N3O2 — CID 71838702

IUPAC1-(3-chloro-2-fluorophenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea
SMILESCc1cc(N2CCC(NC(=O)Nc3cccc(Cl)c3F)C2=O)ccc1F
InChIInChI=1S/C18H16ClF2N3O2/c1-10-9-11(5-6-13(10)20)24-8-7-15(17(24)25)23-18(26)22-14-4-2-3-12(19)16(14)21/h2-6,9,15H,7-8H2,1H3,(H2,22,23,26)
InChIKeyIHTMWIIMNQUOPB-UHFFFAOYSA-N
MW379.79 g/mol
LogP3.85
Rot. Bonds3

About 1-(3-chloro-2-fluorophenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea

1-(3-chloro-2-fluorophenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea (PubChem CID 71838702) has the molecular formula C18H16ClF2N3O2 and a molecular weight of 379.79 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea
PubChem CID71838702
Molecular FormulaC18H16ClF2N3O2
Molecular Weight379.79 g/mol
Exact Mass379.09
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea
SMILESCc1cc(N2CCC(NC(=O)Nc3cccc(Cl)c3F)C2=O)ccc1F
InChIInChI=1S/C18H16ClF2N3O2/c1-10-9-11(5-6-13(10)20)24-8-7-15(17(24)25)23-18(26)22-14-4-2-3-12(19)16(14)21/h2-6,9,15H,7-8H2,1H3,(H2,22,23,26)
InChIKeyIHTMWIIMNQUOPB-UHFFFAOYSA-N
XLogP3.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.79
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-2-methylphenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838705
1-(2,3-dimethylphenyl)-3-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838784
1-[(3S)-1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-3-[(3-methoxyphenyl)methyl]urea
CID 95101423
1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(3-fluoro-4-methoxyphenyl)urea
CID 71838789
4-[[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122009226
1-(2,4-dimethylphenyl)-3-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea
CID 95269169
N-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide
CID 102563907
1-(4-fluoro-3-methylphenyl)-3-(propylamino)pyrrolidin-2-one
CID 62812484
1-tert-butyl-3-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838832
3-chloro-N-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 19710982
1-(3-chloro-2-methylphenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea
CID 67002034
1-(3-chloro-2-fluorophenyl)-3-(1-phenylpiperidin-4-yl)urea
CID 86830653

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea (CID 71838702) is 1-(3-chloro-2-fluorophenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea is Cc1cc(N2CCC(NC(=O)Nc3cccc(Cl)c3F)C2=O)ccc1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea?
The InChIKey is IHTMWIIMNQUOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF2N3O2/c1-10-9-11(5-6-13(10)20)24-8-7-15(17(24)25)23-18(26)22-14-4-2-3-12(19)16(14)21/h2-6,9,15H,7-8H2,1H3,(H2,22,23,26).
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea?
1-(3-chloro-2-fluorophenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea has a molecular weight of 379.79 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 71838702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).