1-[1-(4-chlorophenyl)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea

C16H19ClN2O3 — CID 111478745

IUPAC1-[1-(4-chlorophenyl)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
SMILESCC(NC(=O)NCC(C)(O)c1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2O3/c1-11(12-5-7-13(17)8-6-12)19-15(20)18-10-16(2,21)14-4-3-9-22-14/h3-9,11,21H,10H2,1-2H3,(H2,18,19,20)
InChIKeyZPLPMVMCIBLUMV-UHFFFAOYSA-N
MW322.79 g/mol
LogP3.20
Rot. Bonds5

About 1-[1-(4-chlorophenyl)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea

1-[1-(4-chlorophenyl)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea (PubChem CID 111478745) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
PubChem CID111478745
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Name1-[1-(4-chlorophenyl)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
SMILESCC(NC(=O)NCC(C)(O)c1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2O3/c1-11(12-5-7-13(17)8-6-12)19-15(20)18-10-16(2,21)14-4-3-9-22-14/h3-9,11,21H,10H2,1-2H3,(H2,18,19,20)
InChIKeyZPLPMVMCIBLUMV-UHFFFAOYSA-N
XLogP3.20
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1-phenylethyl)urea
CID 111478738
1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]urea
CID 97051341
1-[(2S)-3,3-dimethylbutan-2-yl]-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea
CID 95934768
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)urea
CID 110007216
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111481658
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(4-methylphenyl)propyl]urea
CID 111504031
2-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpropanamide
CID 111520232
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(2-methylpropoxy)propan-2-yl]urea
CID 111480769
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
2,6-dichloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71975267
2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71782549
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylurea
CID 94700038

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea?
The IUPAC name of 1-[1-(4-chlorophenyl)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea (CID 111478745) is 1-[1-(4-chlorophenyl)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea.
What is the SMILES notation for 1-[1-(4-chlorophenyl)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea?
The canonical SMILES for 1-[1-(4-chlorophenyl)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea is CC(NC(=O)NCC(C)(O)c1ccco1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea?
The InChIKey is ZPLPMVMCIBLUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c1-11(12-5-7-13(17)8-6-12)19-15(20)18-10-16(2,21)14-4-3-9-22-14/h3-9,11,21H,10H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[1-(4-chlorophenyl)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea?
1-[1-(4-chlorophenyl)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea has a molecular weight of 322.79 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea is sourced from PubChem (CID 111478745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).