3-(3-chlorophenyl)-1-propyl-1-pyrrolidin-3-ylurea

C14H20ClN3O — CID 63300801

IUPAC3-(3-chlorophenyl)-1-propyl-1-pyrrolidin-3-ylurea
SMILESCCCN(C(=O)Nc1cccc(Cl)c1)C1CCNC1
InChIInChI=1S/C14H20ClN3O/c1-2-8-18(13-6-7-16-10-13)14(19)17-12-5-3-4-11(15)9-12/h3-5,9,13,16H,2,6-8,10H2,1H3,(H,17,19)
InChIKeyZYPLJGASYGJMTB-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.95
Rot. Bonds4

About 3-(3-chlorophenyl)-1-propyl-1-pyrrolidin-3-ylurea

3-(3-chlorophenyl)-1-propyl-1-pyrrolidin-3-ylurea (PubChem CID 63300801) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-propyl-1-pyrrolidin-3-ylurea.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-propyl-1-pyrrolidin-3-ylurea
PubChem CID63300801
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name3-(3-chlorophenyl)-1-propyl-1-pyrrolidin-3-ylurea
SMILESCCCN(C(=O)Nc1cccc(Cl)c1)C1CCNC1
InChIInChI=1S/C14H20ClN3O/c1-2-8-18(13-6-7-16-10-13)14(19)17-12-5-3-4-11(15)9-12/h3-5,9,13,16H,2,6-8,10H2,1H3,(H,17,19)
InChIKeyZYPLJGASYGJMTB-UHFFFAOYSA-N
XLogP2.95
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-1-piperidin-3-yl-1-propylurea
CID 63637628
3-phenyl-1-piperidin-4-yl-1-propylurea
CID 18372791
1-ethyl-3-(3-methoxyphenyl)-1-pyrrolidin-3-ylurea
CID 61310944
1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-propylurea
CID 66213856
1-(4-aminocyclohexyl)-3-(3-chlorophenyl)-1-ethylurea
CID 79115256
5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide
CID 119532812
N-(3-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006640
5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119532811
1-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 119532202
3-[3-[[cyclopropyl(propyl)carbamoyl]amino]phenyl]propanoic acid
CID 115340620
2-(5-chloro-2-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119529826
2-chloro-5-(3,3-dimethylbutanoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119533243

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-propyl-1-pyrrolidin-3-ylurea?
The IUPAC name of 3-(3-chlorophenyl)-1-propyl-1-pyrrolidin-3-ylurea (CID 63300801) is 3-(3-chlorophenyl)-1-propyl-1-pyrrolidin-3-ylurea.
What is the SMILES notation for 3-(3-chlorophenyl)-1-propyl-1-pyrrolidin-3-ylurea?
The canonical SMILES for 3-(3-chlorophenyl)-1-propyl-1-pyrrolidin-3-ylurea is CCCN(C(=O)Nc1cccc(Cl)c1)C1CCNC1.
What is the InChIKey of 3-(3-chlorophenyl)-1-propyl-1-pyrrolidin-3-ylurea?
The InChIKey is ZYPLJGASYGJMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-2-8-18(13-6-7-16-10-13)14(19)17-12-5-3-4-11(15)9-12/h3-5,9,13,16H,2,6-8,10H2,1H3,(H,17,19).
What are the key properties of 3-(3-chlorophenyl)-1-propyl-1-pyrrolidin-3-ylurea?
3-(3-chlorophenyl)-1-propyl-1-pyrrolidin-3-ylurea has a molecular weight of 281.79 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-propyl-1-pyrrolidin-3-ylurea is sourced from PubChem (CID 63300801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).