1-[6-(4-fluorophenoxy)-3-pyridinyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea

C18H16FN3O4 — CID 86994318

IUPAC1-[6-(4-fluorophenoxy)-3-pyridinyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
SMILESO=C(NCC(O)c1ccco1)Nc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C18H16FN3O4/c19-12-3-6-14(7-4-12)26-17-8-5-13(10-20-17)22-18(24)21-11-15(23)16-2-1-9-25-16/h1-10,15,23H,11H2,(H2,21,22,24)
InChIKeyHHRPRRMCVDLIND-UHFFFAOYSA-N
MW357.34 g/mol
LogP3.46
Rot. Bonds6

About 1-[6-(4-fluorophenoxy)-3-pyridinyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea

1-[6-(4-fluorophenoxy)-3-pyridinyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea (PubChem CID 86994318) has the molecular formula C18H16FN3O4 and a molecular weight of 357.34 g/mol. Its IUPAC name is 1-[6-(4-fluorophenoxy)-3-pyridinyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-[6-(4-fluorophenoxy)-3-pyridinyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
PubChem CID86994318
Molecular FormulaC18H16FN3O4
Molecular Weight357.34 g/mol
Exact Mass357.11
IUPAC Name1-[6-(4-fluorophenoxy)-3-pyridinyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
SMILESO=C(NCC(O)c1ccco1)Nc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C18H16FN3O4/c19-12-3-6-14(7-4-12)26-17-8-5-13(10-20-17)22-18(24)21-11-15(23)16-2-1-9-25-16/h1-10,15,23H,11H2,(H2,21,22,24)
InChIKeyHHRPRRMCVDLIND-UHFFFAOYSA-N
XLogP3.46
TPSA96.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86988466
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea
CID 111475157
1-(4-bromophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890281
1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110888490
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxybutanamide
CID 110179642
1-(4-fluorophenyl)-3-[(2R)-2-(furan-2-yl)-2-methoxyethyl]urea
CID 99876552
N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 52627337
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 110891153
1-(2-ethoxy-4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 87006078
1-[6-(4-tert-butylphenoxy)-3-pyridinyl]-3-(4-fluorophenyl)urea
CID 2814280
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-fluorophenyl)urea
CID 17494246
1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 94162609

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-fluorophenoxy)-3-pyridinyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The IUPAC name of 1-[6-(4-fluorophenoxy)-3-pyridinyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea (CID 86994318) is 1-[6-(4-fluorophenoxy)-3-pyridinyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-[6-(4-fluorophenoxy)-3-pyridinyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-[6-(4-fluorophenoxy)-3-pyridinyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea is O=C(NCC(O)c1ccco1)Nc1ccc(Oc2ccc(F)cc2)nc1.
What is the InChIKey of 1-[6-(4-fluorophenoxy)-3-pyridinyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The InChIKey is HHRPRRMCVDLIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4/c19-12-3-6-14(7-4-12)26-17-8-5-13(10-20-17)22-18(24)21-11-15(23)16-2-1-9-25-16/h1-10,15,23H,11H2,(H2,21,22,24).
What are the key properties of 1-[6-(4-fluorophenoxy)-3-pyridinyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
1-[6-(4-fluorophenoxy)-3-pyridinyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea has a molecular weight of 357.34 g/mol, XLogP of 3.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-fluorophenoxy)-3-pyridinyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea is sourced from PubChem (CID 86994318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).