1-(2-chloro-6-methylphenyl)-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea

C15H20ClN3O2 — CID 86795644

IUPAC1-(2-chloro-6-methylphenyl)-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
SMILESCc1cccc(Cl)c1NC(=O)NC1CCN(C(C)C)C1=O
InChIInChI=1S/C15H20ClN3O2/c1-9(2)19-8-7-12(14(19)20)17-15(21)18-13-10(3)5-4-6-11(13)16/h4-6,9,12H,7-8H2,1-3H3,(H2,17,18,21)
InChIKeyGFZZPBASZVQXHA-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.78
Rot. Bonds3

About 1-(2-chloro-6-methylphenyl)-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea

1-(2-chloro-6-methylphenyl)-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea (PubChem CID 86795644) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 1-(2-chloro-6-methylphenyl)-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-(2-chloro-6-methylphenyl)-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
PubChem CID86795644
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name1-(2-chloro-6-methylphenyl)-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
SMILESCc1cccc(Cl)c1NC(=O)NC1CCN(C(C)C)C1=O
InChIInChI=1S/C15H20ClN3O2/c1-9(2)19-8-7-12(14(19)20)17-15(21)18-13-10(3)5-4-6-11(13)16/h4-6,9,12H,7-8H2,1-3H3,(H2,17,18,21)
InChIKeyGFZZPBASZVQXHA-UHFFFAOYSA-N
XLogP2.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-chloro-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
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1-(2-chloro-4,6-dimethylphenyl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
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1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]urea
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(3R)-3-(2,6-difluoroanilino)-1-propan-2-ylpyrrolidin-2-one
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1-(6-chloro-8-methylquinolin-5-yl)-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea
CID 95774160
N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methylphenyl)-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea?
The IUPAC name of 1-(2-chloro-6-methylphenyl)-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea (CID 86795644) is 1-(2-chloro-6-methylphenyl)-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea.
What is the SMILES notation for 1-(2-chloro-6-methylphenyl)-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea?
The canonical SMILES for 1-(2-chloro-6-methylphenyl)-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea is Cc1cccc(Cl)c1NC(=O)NC1CCN(C(C)C)C1=O.
What is the InChIKey of 1-(2-chloro-6-methylphenyl)-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea?
The InChIKey is GFZZPBASZVQXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-9(2)19-8-7-12(14(19)20)17-15(21)18-13-10(3)5-4-6-11(13)16/h4-6,9,12H,7-8H2,1-3H3,(H2,17,18,21).
What are the key properties of 1-(2-chloro-6-methylphenyl)-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea?
1-(2-chloro-6-methylphenyl)-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea has a molecular weight of 309.80 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methylphenyl)-3-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)urea is sourced from PubChem (CID 86795644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).