1-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[(1S)-1-(furan-2-yl)ethyl]urea

C15H16ClFN2O3 — CID 97248748

IUPAC1-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[(1S)-1-(furan-2-yl)ethyl]urea
SMILESC[C@H](NC(=O)NC[C@@H](O)c1ccc(Cl)c(F)c1)c1ccco1
InChIInChI=1S/C15H16ClFN2O3/c1-9(14-3-2-6-22-14)19-15(21)18-8-13(20)10-4-5-11(16)12(17)7-10/h2-7,9,13,20H,8H2,1H3,(H2,18,19,21)/t9-,13+/m0/s1
InChIKeyIXLRYSQKNLWEMM-TVQRCGJNSA-N
MW326.76 g/mol
LogP3.17
Rot. Bonds5

About 1-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[(1S)-1-(furan-2-yl)ethyl]urea

1-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[(1S)-1-(furan-2-yl)ethyl]urea (PubChem CID 97248748) has the molecular formula C15H16ClFN2O3 and a molecular weight of 326.76 g/mol. Its IUPAC name is 1-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[(1S)-1-(furan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[(1S)-1-(furan-2-yl)ethyl]urea
PubChem CID97248748
Molecular FormulaC15H16ClFN2O3
Molecular Weight326.76 g/mol
Exact Mass326.08
IUPAC Name1-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[(1S)-1-(furan-2-yl)ethyl]urea
SMILESC[C@H](NC(=O)NC[C@@H](O)c1ccc(Cl)c(F)c1)c1ccco1
InChIInChI=1S/C15H16ClFN2O3/c1-9(14-3-2-6-22-14)19-15(21)18-8-13(20)10-4-5-11(16)12(17)7-10/h2-7,9,13,20H,8H2,1H3,(H2,18,19,21)/t9-,13+/m0/s1
InChIKeyIXLRYSQKNLWEMM-TVQRCGJNSA-N
XLogP3.17
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.76
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[(1S)-1-(furan-2-yl)ethyl]urea with MolForge

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Related Compounds

1-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[(2R)-2-[(S)-methylsulfinyl]propyl]urea
CID 97328956
1-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]urea
CID 95587097
1-[(2R)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(3,3,3-trifluoropropyl)urea
CID 97248881
1-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-(3,3,3-trifluoropropyl)urea
CID 97248880
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 110893540
1-(4-chloro-3-fluorophenyl)-2-(methylamino)ethanol
CID 62773520
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea
CID 110893573
1-[1-(furan-2-yl)ethyl]-3-propylurea
CID 110748894
1-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 129421908
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(1-phenylethyl)urea
CID 110893367
1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110888490
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-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[(1S)-1-(furan-2-yl)ethyl]urea?
The IUPAC name of 1-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[(1S)-1-(furan-2-yl)ethyl]urea (CID 97248748) is 1-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[(1S)-1-(furan-2-yl)ethyl]urea.
What is the SMILES notation for 1-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[(1S)-1-(furan-2-yl)ethyl]urea?
The canonical SMILES for 1-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[(1S)-1-(furan-2-yl)ethyl]urea is C[C@H](NC(=O)NC[C@@H](O)c1ccc(Cl)c(F)c1)c1ccco1.
What is the InChIKey of 1-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[(1S)-1-(furan-2-yl)ethyl]urea?
The InChIKey is IXLRYSQKNLWEMM-TVQRCGJNSA-N. The full InChI is InChI=1S/C15H16ClFN2O3/c1-9(14-3-2-6-22-14)19-15(21)18-8-13(20)10-4-5-11(16)12(17)7-10/h2-7,9,13,20H,8H2,1H3,(H2,18,19,21)/t9-,13+/m0/s1.
What are the key properties of 1-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[(1S)-1-(furan-2-yl)ethyl]urea?
1-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[(1S)-1-(furan-2-yl)ethyl]urea has a molecular weight of 326.76 g/mol, XLogP of 3.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[(1S)-1-(furan-2-yl)ethyl]urea is sourced from PubChem (CID 97248748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).