1-(2-ethoxy-4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea

C15H17FN2O4 — CID 87006078

IUPAC1-(2-ethoxy-4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
SMILESCCOc1cc(F)ccc1NC(=O)NCC(O)c1ccco1
InChIInChI=1S/C15H17FN2O4/c1-2-21-14-8-10(16)5-6-11(14)18-15(20)17-9-12(19)13-4-3-7-22-13/h3-8,12,19H,2,9H2,1H3,(H2,17,18,20)
InChIKeyMKMYKHUVQOAZKW-UHFFFAOYSA-N
MW308.31 g/mol
LogP2.67
Rot. Bonds6

About 1-(2-ethoxy-4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea

1-(2-ethoxy-4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea (PubChem CID 87006078) has the molecular formula C15H17FN2O4 and a molecular weight of 308.31 g/mol. Its IUPAC name is 1-(2-ethoxy-4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-(2-ethoxy-4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
PubChem CID87006078
Molecular FormulaC15H17FN2O4
Molecular Weight308.31 g/mol
Exact Mass308.12
IUPAC Name1-(2-ethoxy-4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
SMILESCCOc1cc(F)ccc1NC(=O)NCC(O)c1ccco1
InChIInChI=1S/C15H17FN2O4/c1-2-21-14-8-10(16)5-6-11(14)18-15(20)17-9-12(19)13-4-3-7-22-13/h3-8,12,19H,2,9H2,1H3,(H2,17,18,20)
InChIKeyMKMYKHUVQOAZKW-UHFFFAOYSA-N
XLogP2.67
TPSA83.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97225040
1-(2-ethoxy-4-fluorophenyl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110896211
1-(2-chloro-4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890476
1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86847008
1-(2-ethoxy-4-fluorophenyl)-3-(3-hydroxybutyl)urea
CID 111336857
1-(2-ethoxy-4-fluorophenyl)-3-(3-methylbutyl)urea
CID 47237901
methyl 4-fluoro-3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzoate
CID 78879195
1-(2-ethoxy-4-fluorophenyl)-3-methoxyurea
CID 75415528
1-(2-ethoxy-4-fluorophenyl)-3-(3-methoxypropyl)urea
CID 47237738
1-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86988466
2-amino-N-(2-ethoxy-4-fluorophenyl)propanamide;hydrochloride
CID 119286702

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The IUPAC name of 1-(2-ethoxy-4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea (CID 87006078) is 1-(2-ethoxy-4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-(2-ethoxy-4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-(2-ethoxy-4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea is CCOc1cc(F)ccc1NC(=O)NCC(O)c1ccco1.
What is the InChIKey of 1-(2-ethoxy-4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The InChIKey is MKMYKHUVQOAZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O4/c1-2-21-14-8-10(16)5-6-11(14)18-15(20)17-9-12(19)13-4-3-7-22-13/h3-8,12,19H,2,9H2,1H3,(H2,17,18,20).
What are the key properties of 1-(2-ethoxy-4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
1-(2-ethoxy-4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea has a molecular weight of 308.31 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea is sourced from PubChem (CID 87006078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).