1-[2-(4-fluorophenyl)ethyl]-3-[(2S)-3-(4-hydroxyphenyl)-2-methylpropyl]urea

C19H23FN2O2 — CID 145230156

IUPAC1-[2-(4-fluorophenyl)ethyl]-3-[(2S)-3-(4-hydroxyphenyl)-2-methylpropyl]urea
SMILESC[C@H](CNC(=O)NCCc1ccc(F)cc1)Cc1ccc(O)cc1
InChIInChI=1S/C19H23FN2O2/c1-14(12-16-4-8-18(23)9-5-16)13-22-19(24)21-11-10-15-2-6-17(20)7-3-15/h2-9,14,23H,10-13H2,1H3,(H2,21,22,24)/t14-/m0/s1
InChIKeyRWFDGURLZAVRIR-AWEZNQCLSA-N
MW330.40 g/mol
LogP3.25
Rot. Bonds7

About 1-[2-(4-fluorophenyl)ethyl]-3-[(2S)-3-(4-hydroxyphenyl)-2-methylpropyl]urea

1-[2-(4-fluorophenyl)ethyl]-3-[(2S)-3-(4-hydroxyphenyl)-2-methylpropyl]urea (PubChem CID 145230156) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-3-[(2S)-3-(4-hydroxyphenyl)-2-methylpropyl]urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-3-[(2S)-3-(4-hydroxyphenyl)-2-methylpropyl]urea
PubChem CID145230156
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-3-[(2S)-3-(4-hydroxyphenyl)-2-methylpropyl]urea
SMILESC[C@H](CNC(=O)NCCc1ccc(F)cc1)Cc1ccc(O)cc1
InChIInChI=1S/C19H23FN2O2/c1-14(12-16-4-8-18(23)9-5-16)13-22-19(24)21-11-10-15-2-6-17(20)7-3-15/h2-9,14,23H,10-13H2,1H3,(H2,21,22,24)/t14-/m0/s1
InChIKeyRWFDGURLZAVRIR-AWEZNQCLSA-N
XLogP3.25
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-hydroxy-2-methylpentyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 111455573
1-[2-(4-fluorophenyl)ethyl]-3-(methoxymethyl)urea
CID 110675926
1-(2,2-dimethylpropyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 110754997
N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 78770059
N-[2-(4-hydroxyphenyl)ethyl]-2,3-dimethylbutanamide
CID 20759703
1-[2-(4-fluoro-2-methoxyphenyl)ethyl]-3-[3-(4-hydroxyphenyl)-2-(methylamino)propyl]urea
CID 135214235
1-[2-(4-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 115575958
1-[2-(4-fluorophenyl)ethyl]-3-prop-1-en-2-ylurea
CID 108910401
N-[2-(4-fluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60852875
(2S)-2-[2-(4-fluorophenyl)ethylcarbamoylamino]-3-methylbutanoate
CID 2011301
1-[2-(4-fluorophenyl)ethyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874692
1-[(4-fluorophenyl)methyl]-3-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]urea
CID 38204563

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-[(2S)-3-(4-hydroxyphenyl)-2-methylpropyl]urea?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-[(2S)-3-(4-hydroxyphenyl)-2-methylpropyl]urea (CID 145230156) is 1-[2-(4-fluorophenyl)ethyl]-3-[(2S)-3-(4-hydroxyphenyl)-2-methylpropyl]urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-3-[(2S)-3-(4-hydroxyphenyl)-2-methylpropyl]urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-3-[(2S)-3-(4-hydroxyphenyl)-2-methylpropyl]urea is C[C@H](CNC(=O)NCCc1ccc(F)cc1)Cc1ccc(O)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-3-[(2S)-3-(4-hydroxyphenyl)-2-methylpropyl]urea?
The InChIKey is RWFDGURLZAVRIR-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-14(12-16-4-8-18(23)9-5-16)13-22-19(24)21-11-10-15-2-6-17(20)7-3-15/h2-9,14,23H,10-13H2,1H3,(H2,21,22,24)/t14-/m0/s1.
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-3-[(2S)-3-(4-hydroxyphenyl)-2-methylpropyl]urea?
1-[2-(4-fluorophenyl)ethyl]-3-[(2S)-3-(4-hydroxyphenyl)-2-methylpropyl]urea has a molecular weight of 330.40 g/mol, XLogP of 3.25, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-3-[(2S)-3-(4-hydroxyphenyl)-2-methylpropyl]urea is sourced from PubChem (CID 145230156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).