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

C13H13ClN2O3 — CID 110888491

IUPAC1-(3-chlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
SMILESO=C(NCC(O)c1ccco1)Nc1cccc(Cl)c1
InChIInChI=1S/C13H13ClN2O3/c14-9-3-1-4-10(7-9)16-13(18)15-8-11(17)12-5-2-6-19-12/h1-7,11,17H,8H2,(H2,15,16,18)
InChIKeyGDCTUGCTRMXNNL-UHFFFAOYSA-N
MW280.71 g/mol
LogP2.79
Rot. Bonds4

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

1-(3-chlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea (PubChem CID 110888491) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
PubChem CID110888491
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name1-(3-chlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
SMILESO=C(NCC(O)c1ccco1)Nc1cccc(Cl)c1
InChIInChI=1S/C13H13ClN2O3/c14-9-3-1-4-10(7-9)16-13(18)15-8-11(17)12-5-2-6-19-12/h1-7,11,17H,8H2,(H2,15,16,18)
InChIKeyGDCTUGCTRMXNNL-UHFFFAOYSA-N
XLogP2.79
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890408
N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
CID 86987865
1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110888490
1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86980282
1-(3,5-dichloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86849460
1-(4-chloro-3-nitrophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890610
1-[3-(difluoromethylsulfanyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110929150
1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111444311
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 110891153
1-(4-bromophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890281
1-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86988466
1-(2-chloro-4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890476

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea (CID 110888491) is 1-(3-chlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea is O=C(NCC(O)c1ccco1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The InChIKey is GDCTUGCTRMXNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c14-9-3-1-4-10(7-9)16-13(18)15-8-11(17)12-5-2-6-19-12/h1-7,11,17H,8H2,(H2,15,16,18).
What are the key properties of 1-(3-chlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
1-(3-chlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea has a molecular weight of 280.71 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea is sourced from PubChem (CID 110888491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).