1-(2-chloro-4,6-dimethylphenyl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea

C14H18ClN3O2 — CID 72914943

IUPAC1-(2-chloro-4,6-dimethylphenyl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
SMILESCc1cc(C)c(NC(=O)NC2CCN(C)C2=O)c(Cl)c1
InChIInChI=1S/C14H18ClN3O2/c1-8-6-9(2)12(10(15)7-8)17-14(20)16-11-4-5-18(3)13(11)19/h6-7,11H,4-5H2,1-3H3,(H2,16,17,20)
InChIKeyNRWXFFJMDDGZBS-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.31
Rot. Bonds2

About 1-(2-chloro-4,6-dimethylphenyl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea

1-(2-chloro-4,6-dimethylphenyl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea (PubChem CID 72914943) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 1-(2-chloro-4,6-dimethylphenyl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-(2-chloro-4,6-dimethylphenyl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
PubChem CID72914943
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name1-(2-chloro-4,6-dimethylphenyl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
SMILESCc1cc(C)c(NC(=O)NC2CCN(C)C2=O)c(Cl)c1
InChIInChI=1S/C14H18ClN3O2/c1-8-6-9(2)12(10(15)7-8)17-14(20)16-11-4-5-18(3)13(11)19/h6-7,11H,4-5H2,1-3H3,(H2,16,17,20)
InChIKeyNRWXFFJMDDGZBS-UHFFFAOYSA-N
XLogP2.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea?
The IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea (CID 72914943) is 1-(2-chloro-4,6-dimethylphenyl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea.
What is the SMILES notation for 1-(2-chloro-4,6-dimethylphenyl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea?
The canonical SMILES for 1-(2-chloro-4,6-dimethylphenyl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea is Cc1cc(C)c(NC(=O)NC2CCN(C)C2=O)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4,6-dimethylphenyl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea?
The InChIKey is NRWXFFJMDDGZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-8-6-9(2)12(10(15)7-8)17-14(20)16-11-4-5-18(3)13(11)19/h6-7,11H,4-5H2,1-3H3,(H2,16,17,20).
What are the key properties of 1-(2-chloro-4,6-dimethylphenyl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea?
1-(2-chloro-4,6-dimethylphenyl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea has a molecular weight of 295.77 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,6-dimethylphenyl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea is sourced from PubChem (CID 72914943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).