1-(4-fluoro-2-prop-2-ynoxyphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea

C19H19FN2O3 — CID 111475245

IUPAC1-(4-fluoro-2-prop-2-ynoxyphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
SMILESC#CCOc1cc(F)ccc1NC(=O)N[C@H](CCO)c1ccccc1
InChIInChI=1S/C19H19FN2O3/c1-2-12-25-18-13-15(20)8-9-17(18)22-19(24)21-16(10-11-23)14-6-4-3-5-7-14/h1,3-9,13,16,23H,10-12H2,(H2,21,22,24)/t16-/m1/s1
InChIKeyHDIAQXVGGFVZJZ-MRXNPFEDSA-N
MW342.37 g/mol
LogP3.08
Rot. Bonds7

About 1-(4-fluoro-2-prop-2-ynoxyphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea

1-(4-fluoro-2-prop-2-ynoxyphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea (PubChem CID 111475245) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-(4-fluoro-2-prop-2-ynoxyphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea.

Molecular Properties

Compound Name1-(4-fluoro-2-prop-2-ynoxyphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
PubChem CID111475245
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name1-(4-fluoro-2-prop-2-ynoxyphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
SMILESC#CCOc1cc(F)ccc1NC(=O)N[C@H](CCO)c1ccccc1
InChIInChI=1S/C19H19FN2O3/c1-2-12-25-18-13-15(20)8-9-17(18)22-19(24)21-16(10-11-23)14-6-4-3-5-7-14/h1,3-9,13,16,23H,10-12H2,(H2,21,22,24)/t16-/m1/s1
InChIKeyHDIAQXVGGFVZJZ-MRXNPFEDSA-N
XLogP3.08
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluoro-2-prop-2-ynoxyphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111475241
1-(2,4-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111450259
1-(4-fluoro-2-prop-2-ynoxyphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111573295
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea
CID 111450283
1-(4-fluoro-2-methoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111453003
1-[(2,5-difluorophenyl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111455268
1-(4-chloro-2-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111452600
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-pyridin-2-ylurea
CID 111450280
1-(4-chloro-2-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111452677
1-(5-fluoro-2-prop-2-ynoxyphenyl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 111475282
1-butyl-3-(4-fluoro-2-prop-2-ynoxyphenyl)-1-(2-hydroxyethyl)urea
CID 111475231
1-(3-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111450262

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-prop-2-ynoxyphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea?
The IUPAC name of 1-(4-fluoro-2-prop-2-ynoxyphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea (CID 111475245) is 1-(4-fluoro-2-prop-2-ynoxyphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea.
What is the SMILES notation for 1-(4-fluoro-2-prop-2-ynoxyphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea?
The canonical SMILES for 1-(4-fluoro-2-prop-2-ynoxyphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea is C#CCOc1cc(F)ccc1NC(=O)N[C@H](CCO)c1ccccc1.
What is the InChIKey of 1-(4-fluoro-2-prop-2-ynoxyphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea?
The InChIKey is HDIAQXVGGFVZJZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-2-12-25-18-13-15(20)8-9-17(18)22-19(24)21-16(10-11-23)14-6-4-3-5-7-14/h1,3-9,13,16,23H,10-12H2,(H2,21,22,24)/t16-/m1/s1.
What are the key properties of 1-(4-fluoro-2-prop-2-ynoxyphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea?
1-(4-fluoro-2-prop-2-ynoxyphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea has a molecular weight of 342.37 g/mol, XLogP of 3.08, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-prop-2-ynoxyphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea is sourced from PubChem (CID 111475245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).