1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-(2-morpholin-4-ylpropyl)urea

C18H27ClN4O2 — CID 136520756

IUPAC1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-(2-morpholin-4-ylpropyl)urea
SMILESCC(CNC(=O)NC1CCN(c2ccc(Cl)cc2)C1)N1CCOCC1
InChIInChI=1S/C18H27ClN4O2/c1-14(22-8-10-25-11-9-22)12-20-18(24)21-16-6-7-23(13-16)17-4-2-15(19)3-5-17/h2-5,14,16H,6-13H2,1H3,(H2,20,21,24)
InChIKeyXOMIZCOOCZKVDU-UHFFFAOYSA-N
MW366.89 g/mol
LogP1.94
Rot. Bonds5

About 1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-(2-morpholin-4-ylpropyl)urea

1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-(2-morpholin-4-ylpropyl)urea (PubChem CID 136520756) has the molecular formula C18H27ClN4O2 and a molecular weight of 366.89 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-(2-morpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-(2-morpholin-4-ylpropyl)urea
PubChem CID136520756
Molecular FormulaC18H27ClN4O2
Molecular Weight366.89 g/mol
Exact Mass366.18
IUPAC Name1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-(2-morpholin-4-ylpropyl)urea
SMILESCC(CNC(=O)NC1CCN(c2ccc(Cl)cc2)C1)N1CCOCC1
InChIInChI=1S/C18H27ClN4O2/c1-14(22-8-10-25-11-9-22)12-20-18(24)21-16-6-7-23(13-16)17-4-2-15(19)3-5-17/h2-5,14,16H,6-13H2,1H3,(H2,20,21,24)
InChIKeyXOMIZCOOCZKVDU-UHFFFAOYSA-N
XLogP1.94
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(4-chlorophenyl)pyrrolidin-3-yl]carbamoylamino]butanoic acid
CID 122009161
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea
CID 46493944
2-[[[[1-(4-chlorophenyl)pyrrolidin-3-yl]amino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110049680
1-[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]-3-(2,2-difluoroethyl)urea
CID 124608563
1-[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]-3-(2,2-difluoroethyl)urea
CID 124608564
1-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-[(3S)-1-methylpiperidin-3-yl]urea
CID 124839812
1-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-[(3S)-1-methylpiperidin-3-yl]urea
CID 95140290
1-[1-(4-bromophenyl)pyrrolidin-3-yl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111918179
1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpropyl)urea
CID 110621889
tert-butyl N-[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]carbamate
CID 178166297
N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-ethoxypropanamide
CID 75445488
1-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 110012582

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-(2-morpholin-4-ylpropyl)urea?
The IUPAC name of 1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-(2-morpholin-4-ylpropyl)urea (CID 136520756) is 1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-(2-morpholin-4-ylpropyl)urea.
What is the SMILES notation for 1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-(2-morpholin-4-ylpropyl)urea?
The canonical SMILES for 1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-(2-morpholin-4-ylpropyl)urea is CC(CNC(=O)NC1CCN(c2ccc(Cl)cc2)C1)N1CCOCC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-(2-morpholin-4-ylpropyl)urea?
The InChIKey is XOMIZCOOCZKVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN4O2/c1-14(22-8-10-25-11-9-22)12-20-18(24)21-16-6-7-23(13-16)17-4-2-15(19)3-5-17/h2-5,14,16H,6-13H2,1H3,(H2,20,21,24).
What are the key properties of 1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-(2-morpholin-4-ylpropyl)urea?
1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-(2-morpholin-4-ylpropyl)urea has a molecular weight of 366.89 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-(2-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 136520756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).