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

C16H19ClN2O4 — CID 111508519

IUPAC1-[2-(2-chlorophenoxy)propyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
SMILESCC(CNC(=O)NCC(O)c1ccco1)Oc1ccccc1Cl
InChIInChI=1S/C16H19ClN2O4/c1-11(23-14-6-3-2-5-12(14)17)9-18-16(21)19-10-13(20)15-7-4-8-22-15/h2-8,11,13,20H,9-10H2,1H3,(H2,18,19,21)
InChIKeyKNXLLFKEMWRTIM-UHFFFAOYSA-N
MW338.79 g/mol
LogP2.73
Rot. Bonds7

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

1-[2-(2-chlorophenoxy)propyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea (PubChem CID 111508519) has the molecular formula C16H19ClN2O4 and a molecular weight of 338.79 g/mol. Its IUPAC name is 1-[2-(2-chlorophenoxy)propyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-[2-(2-chlorophenoxy)propyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
PubChem CID111508519
Molecular FormulaC16H19ClN2O4
Molecular Weight338.79 g/mol
Exact Mass338.10
IUPAC Name1-[2-(2-chlorophenoxy)propyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
SMILESCC(CNC(=O)NCC(O)c1ccco1)Oc1ccccc1Cl
InChIInChI=1S/C16H19ClN2O4/c1-11(23-14-6-3-2-5-12(14)17)9-18-16(21)19-10-13(20)15-7-4-8-22-15/h2-8,11,13,20H,9-10H2,1H3,(H2,18,19,21)
InChIKeyKNXLLFKEMWRTIM-UHFFFAOYSA-N
XLogP2.73
TPSA83.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2-chlorophenoxy)propyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea with MolForge

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Related Compounds

1-(3-chloro-2-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110903965
1-(3,5-dichloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86849460
1-[(2S)-2-(2-chlorophenoxy)butyl]-3-[(2R)-2-hydroxypropyl]urea
CID 99836600
1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110888490
N-[2-(2-chlorophenoxy)propyl]-4-(methylamino)butanamide
CID 119725461
1-(2-chloro-4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890476
1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86980282
1-[2-(azepan-1-yl)-3-methylbutyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110895654
1-[2-(2-chlorophenoxy)propyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111499616
4-(2,3-dichlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]butanamide
CID 86850793
1-(3,5-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890408
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-phenylmethoxyethyl)urea
CID 111619159

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenoxy)propyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The IUPAC name of 1-[2-(2-chlorophenoxy)propyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea (CID 111508519) is 1-[2-(2-chlorophenoxy)propyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-[2-(2-chlorophenoxy)propyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-[2-(2-chlorophenoxy)propyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea is CC(CNC(=O)NCC(O)c1ccco1)Oc1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenoxy)propyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The InChIKey is KNXLLFKEMWRTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O4/c1-11(23-14-6-3-2-5-12(14)17)9-18-16(21)19-10-13(20)15-7-4-8-22-15/h2-8,11,13,20H,9-10H2,1H3,(H2,18,19,21).
What are the key properties of 1-[2-(2-chlorophenoxy)propyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
1-[2-(2-chlorophenoxy)propyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea has a molecular weight of 338.79 g/mol, XLogP of 2.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenoxy)propyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea is sourced from PubChem (CID 111508519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).