1-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-methylurea

C14H18ClN3O2 — CID 119064064

IUPAC1-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-methylurea
SMILESCN(CC(=O)N1CCC(c2ccccc2Cl)C1)C(N)=O
InChIInChI=1S/C14H18ClN3O2/c1-17(14(16)20)9-13(19)18-7-6-10(8-18)11-4-2-3-5-12(11)15/h2-5,10H,6-9H2,1H3,(H2,16,20)
InChIKeyFGBMDGYWFNORMX-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.67
Rot. Bonds3

About 1-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-methylurea

1-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-methylurea (PubChem CID 119064064) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 1-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-methylurea.

Molecular Properties

Compound Name1-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-methylurea
PubChem CID119064064
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name1-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-methylurea
SMILESCN(CC(=O)N1CCC(c2ccccc2Cl)C1)C(N)=O
InChIInChI=1S/C14H18ClN3O2/c1-17(14(16)20)9-13(19)18-7-6-10(8-18)11-4-2-3-5-12(11)15/h2-5,10H,6-9H2,1H3,(H2,16,20)
InChIKeyFGBMDGYWFNORMX-UHFFFAOYSA-N
XLogP1.67
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-aminocyclopropyl)-[3-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 118793699
(1-aminocyclopropyl)-[3-(2-chlorophenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 154905009
1-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 91767867
1-[3-(2-chlorophenyl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 118786989
4-[2-[(3S)-3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-1,2-dihydropyrazol-3-one
CID 126425673
1-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-1-methylurea
CID 9490080
2-[3-[3-(2-chlorophenyl)pyrrolidine-1-carbonyl]phenoxy]acetamide
CID 45207852
5-[2-[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-ethyl-4-methyl-1H-pyrimidin-6-one
CID 136835264
[3-(2-chlorophenyl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 118778888
4-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 72905097
4-[2-[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 97280311
1-[2-[methyl(1,2,3,4-tetrahydronaphthalene-1-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236130

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-methylurea?
The IUPAC name of 1-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-methylurea (CID 119064064) is 1-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-methylurea.
What is the SMILES notation for 1-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-methylurea?
The canonical SMILES for 1-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-methylurea is CN(CC(=O)N1CCC(c2ccccc2Cl)C1)C(N)=O.
What is the InChIKey of 1-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-methylurea?
The InChIKey is FGBMDGYWFNORMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-17(14(16)20)9-13(19)18-7-6-10(8-18)11-4-2-3-5-12(11)15/h2-5,10H,6-9H2,1H3,(H2,16,20).
What are the key properties of 1-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-methylurea?
1-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-methylurea has a molecular weight of 295.77 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-methylurea is sourced from PubChem (CID 119064064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).