methyl 4-fluoro-3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzoate

C15H15FN2O5 — CID 78879195

IUPACmethyl 4-fluoro-3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzoate
SMILESCOC(=O)c1ccc(F)c(NC(=O)NCC(O)c2ccco2)c1
InChIInChI=1S/C15H15FN2O5/c1-22-14(20)9-4-5-10(16)11(7-9)18-15(21)17-8-12(19)13-3-2-6-23-13/h2-7,12,19H,8H2,1H3,(H2,17,18,21)
InChIKeyMAFXMNDOKKBNGU-UHFFFAOYSA-N
MW322.29 g/mol
LogP2.06
Rot. Bonds5

About methyl 4-fluoro-3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzoate

methyl 4-fluoro-3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzoate (PubChem CID 78879195) has the molecular formula C15H15FN2O5 and a molecular weight of 322.29 g/mol. Its IUPAC name is methyl 4-fluoro-3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-fluoro-3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzoate
PubChem CID78879195
Molecular FormulaC15H15FN2O5
Molecular Weight322.29 g/mol
Exact Mass322.10
IUPAC Namemethyl 4-fluoro-3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzoate
SMILESCOC(=O)c1ccc(F)c(NC(=O)NCC(O)c2ccco2)c1
InChIInChI=1S/C15H15FN2O5/c1-22-14(20)9-4-5-10(16)11(7-9)18-15(21)17-8-12(19)13-3-2-6-23-13/h2-7,12,19H,8H2,1H3,(H2,17,18,21)
InChIKeyMAFXMNDOKKBNGU-UHFFFAOYSA-N
XLogP2.06
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 4-fluoro-3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzoate with MolForge

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Related Compounds

1-(4-fluoro-2-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 78877901
1-(2-ethoxy-4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 87006078
1-(2-chloro-4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890476
1-(3-chloro-2-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110903965
1-(3,5-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890408
2-(3,4-difluorophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 110908743
butyl 4-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzoate
CID 86993724
1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86847008
N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
CID 86987865
N'-(2-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide
CID 110893763
methyl 4-fluoro-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoate;hydrochloride
CID 119702256
1-(3-chlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110888491

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzoate?
The IUPAC name of methyl 4-fluoro-3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzoate (CID 78879195) is methyl 4-fluoro-3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzoate.
What is the SMILES notation for methyl 4-fluoro-3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzoate?
The canonical SMILES for methyl 4-fluoro-3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzoate is COC(=O)c1ccc(F)c(NC(=O)NCC(O)c2ccco2)c1.
What is the InChIKey of methyl 4-fluoro-3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzoate?
The InChIKey is MAFXMNDOKKBNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O5/c1-22-14(20)9-4-5-10(16)11(7-9)18-15(21)17-8-12(19)13-3-2-6-23-13/h2-7,12,19H,8H2,1H3,(H2,17,18,21).
What are the key properties of methyl 4-fluoro-3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzoate?
methyl 4-fluoro-3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzoate has a molecular weight of 322.29 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzoate is sourced from PubChem (CID 78879195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).