3-[2-(2-chlorophenoxy)propyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea

C15H21ClN2O3 — CID 111508528

IUPAC3-[2-(2-chlorophenoxy)propyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
SMILESCC(CNC(=O)N(CCO)C1CC1)Oc1ccccc1Cl
InChIInChI=1S/C15H21ClN2O3/c1-11(21-14-5-3-2-4-13(14)16)10-17-15(20)18(8-9-19)12-6-7-12/h2-5,11-12,19H,6-10H2,1H3,(H,17,20)
InChIKeyMHTSTPKOZJTMNF-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.27
Rot. Bonds7

About 3-[2-(2-chlorophenoxy)propyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea

3-[2-(2-chlorophenoxy)propyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea (PubChem CID 111508528) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 3-[2-(2-chlorophenoxy)propyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-[2-(2-chlorophenoxy)propyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
PubChem CID111508528
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name3-[2-(2-chlorophenoxy)propyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
SMILESCC(CNC(=O)N(CCO)C1CC1)Oc1ccccc1Cl
InChIInChI=1S/C15H21ClN2O3/c1-11(21-14-5-3-2-4-13(14)16)10-17-15(20)18(8-9-19)12-6-7-12/h2-5,11-12,19H,6-10H2,1H3,(H,17,20)
InChIKeyMHTSTPKOZJTMNF-UHFFFAOYSA-N
XLogP2.27
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-[2-(3-fluorophenoxy)propyl]-1-(2-hydroxyethyl)urea
CID 111508451
3-amino-N-[2-(2-chlorophenoxy)propyl]cyclopentane-1-carboxamide
CID 119725465
2-(2-chlorophenoxy)-N-cyclobutyl-N-(3-hydroxypropyl)propanamide
CID 102866620
(2R,4R)-N-[(2R)-2-(2-chlorophenoxy)propyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125134999
ethyl 1-[N-[2-(2-chlorophenoxy)propyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111499258
3-(2-chlorophenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)propanamide
CID 43576626
N-[2-(2-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119725486
N-[2-(2-chlorophenoxy)propyl]-4-(methylamino)butanamide
CID 119725461
3-(2-chlorophenoxy)butan-1-ol
CID 82076432
1-cyclopropyl-1-(2-hydroxyethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 110895478
N-cyclopropyl-2-(difluoromethoxy)-N-(2-hydroxyethyl)benzamide
CID 43576922
1-[2-(2-chlorophenoxy)propyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111508519

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chlorophenoxy)propyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-[2-(2-chlorophenoxy)propyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea (CID 111508528) is 3-[2-(2-chlorophenoxy)propyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-[2-(2-chlorophenoxy)propyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-[2-(2-chlorophenoxy)propyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea is CC(CNC(=O)N(CCO)C1CC1)Oc1ccccc1Cl.
What is the InChIKey of 3-[2-(2-chlorophenoxy)propyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The InChIKey is MHTSTPKOZJTMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-11(21-14-5-3-2-4-13(14)16)10-17-15(20)18(8-9-19)12-6-7-12/h2-5,11-12,19H,6-10H2,1H3,(H,17,20).
What are the key properties of 3-[2-(2-chlorophenoxy)propyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
3-[2-(2-chlorophenoxy)propyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea has a molecular weight of 312.80 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chlorophenoxy)propyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 111508528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).