3-(3-chloro-2-ethoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea

C14H19ClN2O3 — CID 110903231

IUPAC3-(3-chloro-2-ethoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
SMILESCCOc1c(Cl)cccc1NC(=O)N(CCO)C1CC1
InChIInChI=1S/C14H19ClN2O3/c1-2-20-13-11(15)4-3-5-12(13)16-14(19)17(8-9-18)10-6-7-10/h3-5,10,18H,2,6-9H2,1H3,(H,16,19)
InChIKeyZTFOLIWVDXVTQD-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.73
Rot. Bonds6

About 3-(3-chloro-2-ethoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea

3-(3-chloro-2-ethoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea (PubChem CID 110903231) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 3-(3-chloro-2-ethoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-(3-chloro-2-ethoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
PubChem CID110903231
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name3-(3-chloro-2-ethoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
SMILESCCOc1c(Cl)cccc1NC(=O)N(CCO)C1CC1
InChIInChI=1S/C14H19ClN2O3/c1-2-20-13-11(15)4-3-5-12(13)16-14(19)17(8-9-18)10-6-7-10/h3-5,10,18H,2,6-9H2,1H3,(H,16,19)
InChIKeyZTFOLIWVDXVTQD-UHFFFAOYSA-N
XLogP2.73
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-ethoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-(3-chloro-2-ethoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea (CID 110903231) is 3-(3-chloro-2-ethoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-(3-chloro-2-ethoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-(3-chloro-2-ethoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea is CCOc1c(Cl)cccc1NC(=O)N(CCO)C1CC1.
What is the InChIKey of 3-(3-chloro-2-ethoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The InChIKey is ZTFOLIWVDXVTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-2-20-13-11(15)4-3-5-12(13)16-14(19)17(8-9-18)10-6-7-10/h3-5,10,18H,2,6-9H2,1H3,(H,16,19).
What are the key properties of 3-(3-chloro-2-ethoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea?
3-(3-chloro-2-ethoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea has a molecular weight of 298.77 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-ethoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 110903231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).