1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-[3-(2-hydroxyethoxy)propyl]urea

C15H20ClFN2O3 — CID 110024155

IUPAC1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-[3-(2-hydroxyethoxy)propyl]urea
SMILESO=C(NCCCOCCO)NC1CC1c1c(F)cccc1Cl
InChIInChI=1S/C15H20ClFN2O3/c16-11-3-1-4-12(17)14(11)10-9-13(10)19-15(21)18-5-2-7-22-8-6-20/h1,3-4,10,13,20H,2,5-9H2,(H2,18,19,21)
InChIKeyMWNRTXQKLVPCPN-UHFFFAOYSA-N
MW330.79 g/mol
LogP2.03
Rot. Bonds8

About 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-[3-(2-hydroxyethoxy)propyl]urea

1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-[3-(2-hydroxyethoxy)propyl]urea (PubChem CID 110024155) has the molecular formula C15H20ClFN2O3 and a molecular weight of 330.79 g/mol. Its IUPAC name is 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-[3-(2-hydroxyethoxy)propyl]urea.

Molecular Properties

Compound Name1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-[3-(2-hydroxyethoxy)propyl]urea
PubChem CID110024155
Molecular FormulaC15H20ClFN2O3
Molecular Weight330.79 g/mol
Exact Mass330.11
IUPAC Name1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-[3-(2-hydroxyethoxy)propyl]urea
SMILESO=C(NCCCOCCO)NC1CC1c1c(F)cccc1Cl
InChIInChI=1S/C15H20ClFN2O3/c16-11-3-1-4-12(17)14(11)10-9-13(10)19-15(21)18-5-2-7-22-8-6-20/h1,3-4,10,13,20H,2,5-9H2,(H2,18,19,21)
InChIKeyMWNRTXQKLVPCPN-UHFFFAOYSA-N
XLogP2.03
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-[(3-hydroxythiolan-3-yl)methyl]urea
CID 111618967
1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110024180
2-[3-[(2-chloro-6-fluorophenyl)methylamino]propoxy]ethanol
CID 103992408
1-[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-[(5-methyl-2-oxo-1H-pyridin-3-yl)methyl]urea
CID 154772627
(2R)-2-amino-N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]propanamide;hydrochloride
CID 119333045
1-(3-chloro-2-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110020567
2-(2-chloro-6-fluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119433671
2-amino-3-chloro-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 106308339
N-[2-[[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 139011538
1-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110024207
1-(3-hydroxypropyl)-3-(2-phenylcyclopropyl)urea
CID 47764322
1-(2-chloro-5-fluorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110021221

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-[3-(2-hydroxyethoxy)propyl]urea?
The IUPAC name of 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-[3-(2-hydroxyethoxy)propyl]urea (CID 110024155) is 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-[3-(2-hydroxyethoxy)propyl]urea.
What is the SMILES notation for 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-[3-(2-hydroxyethoxy)propyl]urea?
The canonical SMILES for 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-[3-(2-hydroxyethoxy)propyl]urea is O=C(NCCCOCCO)NC1CC1c1c(F)cccc1Cl.
What is the InChIKey of 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-[3-(2-hydroxyethoxy)propyl]urea?
The InChIKey is MWNRTXQKLVPCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O3/c16-11-3-1-4-12(17)14(11)10-9-13(10)19-15(21)18-5-2-7-22-8-6-20/h1,3-4,10,13,20H,2,5-9H2,(H2,18,19,21).
What are the key properties of 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-[3-(2-hydroxyethoxy)propyl]urea?
1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-[3-(2-hydroxyethoxy)propyl]urea has a molecular weight of 330.79 g/mol, XLogP of 2.03, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-[3-(2-hydroxyethoxy)propyl]urea is sourced from PubChem (CID 110024155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).