1-(3,4-dichlorophenyl)-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea

C14H19Cl2N3O2 — CID 110923508

IUPAC1-(3,4-dichlorophenyl)-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea
SMILESO=C(NCC(O)CN1CCCC1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H19Cl2N3O2/c15-12-4-3-10(7-13(12)16)18-14(21)17-8-11(20)9-19-5-1-2-6-19/h3-4,7,11,20H,1-2,5-6,8-9H2,(H2,17,18,21)
InChIKeyWLDNOTZLVBETKJ-UHFFFAOYSA-N
MW332.23 g/mol
LogP2.57
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea

1-(3,4-dichlorophenyl)-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea (PubChem CID 110923508) has the molecular formula C14H19Cl2N3O2 and a molecular weight of 332.23 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea
PubChem CID110923508
Molecular FormulaC14H19Cl2N3O2
Molecular Weight332.23 g/mol
Exact Mass331.09
IUPAC Name1-(3,4-dichlorophenyl)-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea
SMILESO=C(NCC(O)CN1CCCC1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H19Cl2N3O2/c15-12-4-3-10(7-13(12)16)18-14(21)17-8-11(20)9-19-5-1-2-6-19/h3-4,7,11,20H,1-2,5-6,8-9H2,(H2,17,18,21)
InChIKeyWLDNOTZLVBETKJ-UHFFFAOYSA-N
XLogP2.57
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorophenyl)-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea
CID 110923525
1-(3,4-dichlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]urea
CID 40653606
1-(3,4-dichlorophenyl)-3-(2,3-dihydroxypropyl)urea
CID 3712239
1-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]urea
CID 51944280
N-[3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)carbamoylamino]-4-methylphenyl]propanamide
CID 118796036
N-[3-[[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]carbamoylamino]-4-methylphenyl]propanamide
CID 125176210
1-(4-chlorophenyl)-3-[2-hydroxy-3-(4-propylpiperazin-1-yl)propyl]urea
CID 44527624
1-[(2S)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)urea
CID 125161646
1-[4-chloro-3-(2-oxoimidazolidin-1-yl)phenyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 166231927
1-(3,4-dichlorophenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea
CID 102916216
1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(2-propylpyrazol-3-yl)urea
CID 125167669
1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)carbamoylamino]butyl]urea
CID 15270622

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea (CID 110923508) is 1-(3,4-dichlorophenyl)-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea is O=C(NCC(O)CN1CCCC1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea?
The InChIKey is WLDNOTZLVBETKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O2/c15-12-4-3-10(7-13(12)16)18-14(21)17-8-11(20)9-19-5-1-2-6-19/h3-4,7,11,20H,1-2,5-6,8-9H2,(H2,17,18,21).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea?
1-(3,4-dichlorophenyl)-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea has a molecular weight of 332.23 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea is sourced from PubChem (CID 110923508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).