1-[2-(3-fluorophenyl)ethyl]-3-[(2R,4R)-2-phenyloxan-4-yl]urea

C20H23FN2O2 — CID 99717246

IUPAC1-[2-(3-fluorophenyl)ethyl]-3-[(2R,4R)-2-phenyloxan-4-yl]urea
SMILESO=C(NCCc1cccc(F)c1)N[C@@H]1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C20H23FN2O2/c21-17-8-4-5-15(13-17)9-11-22-20(24)23-18-10-12-25-19(14-18)16-6-2-1-3-7-16/h1-8,13,18-19H,9-12,14H2,(H2,22,23,24)/t18-,19-/m1/s1
InChIKeyVMXSZGUJEUGFNL-RTBURBONSA-N
MW342.41 g/mol
LogP3.59
Rot. Bonds5

About 1-[2-(3-fluorophenyl)ethyl]-3-[(2R,4R)-2-phenyloxan-4-yl]urea

1-[2-(3-fluorophenyl)ethyl]-3-[(2R,4R)-2-phenyloxan-4-yl]urea (PubChem CID 99717246) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-3-[(2R,4R)-2-phenyloxan-4-yl]urea.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-3-[(2R,4R)-2-phenyloxan-4-yl]urea
PubChem CID99717246
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-3-[(2R,4R)-2-phenyloxan-4-yl]urea
SMILESO=C(NCCc1cccc(F)c1)N[C@@H]1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C20H23FN2O2/c21-17-8-4-5-15(13-17)9-11-22-20(24)23-18-10-12-25-19(14-18)16-6-2-1-3-7-16/h1-8,13,18-19H,9-12,14H2,(H2,22,23,24)/t18-,19-/m1/s1
InChIKeyVMXSZGUJEUGFNL-RTBURBONSA-N
XLogP3.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(2-phenyloxan-4-yl)carbamoylamino]methyl]benzoic acid
CID 122010133
1-[(2R,4S)-2-phenyloxan-4-yl]-3-(2-propan-2-yloxyethyl)urea
CID 99622073
1-(2-phenyloxan-4-yl)-3-(2-prop-2-ynylsulfanylethyl)urea
CID 75507981
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[2-(3-fluorophenyl)ethyl]urea
CID 94017685
1-[2-(3-fluorophenyl)ethyl]-3-[[(2S,4R)-2-methyloxan-4-yl]methyl]urea
CID 129471423
1-[(1-methylpyrazol-4-yl)methyl]-3-(2-phenyloxan-4-yl)urea
CID 86793272
1-[(2S,4R)-2-phenyloxan-4-yl]-3-[(1S,2R,4S,5S)-3-tricyclo[3.2.1.02,4]octanyl]urea
CID 129429595
1-cyclopropyl-3-[(3-fluorophenyl)methyl]urea
CID 47171959
1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea
CID 47172429
1-(5-fluoro-2-pyridinyl)-3-[(2S,4S)-2-phenyloxan-4-yl]urea
CID 99601199
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-[(2R,4S)-2-phenyloxan-4-yl]urea
CID 97308509
1-[2-(3-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111630412

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-3-[(2R,4R)-2-phenyloxan-4-yl]urea?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-3-[(2R,4R)-2-phenyloxan-4-yl]urea (CID 99717246) is 1-[2-(3-fluorophenyl)ethyl]-3-[(2R,4R)-2-phenyloxan-4-yl]urea.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-3-[(2R,4R)-2-phenyloxan-4-yl]urea?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-3-[(2R,4R)-2-phenyloxan-4-yl]urea is O=C(NCCc1cccc(F)c1)N[C@@H]1CCO[C@@H](c2ccccc2)C1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-3-[(2R,4R)-2-phenyloxan-4-yl]urea?
The InChIKey is VMXSZGUJEUGFNL-RTBURBONSA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-17-8-4-5-15(13-17)9-11-22-20(24)23-18-10-12-25-19(14-18)16-6-2-1-3-7-16/h1-8,13,18-19H,9-12,14H2,(H2,22,23,24)/t18-,19-/m1/s1.
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-3-[(2R,4R)-2-phenyloxan-4-yl]urea?
1-[2-(3-fluorophenyl)ethyl]-3-[(2R,4R)-2-phenyloxan-4-yl]urea has a molecular weight of 342.41 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-3-[(2R,4R)-2-phenyloxan-4-yl]urea is sourced from PubChem (CID 99717246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).