1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea

C19H23FN2O3 — CID 110895529

IUPAC1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
SMILESCC(CCc1ccc(O)cc1)NC(=O)NCC(O)c1ccccc1F
InChIInChI=1S/C19H23FN2O3/c1-13(6-7-14-8-10-15(23)11-9-14)22-19(25)21-12-18(24)16-4-2-3-5-17(16)20/h2-5,8-11,13,18,23-24H,6-7,12H2,1H3,(H2,21,22,25)
InChIKeyZLDWLSBEPBSSCM-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.89
Rot. Bonds7

About 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea

1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea (PubChem CID 110895529) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
PubChem CID110895529
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
SMILESCC(CCc1ccc(O)cc1)NC(=O)NCC(O)c1ccccc1F
InChIInChI=1S/C19H23FN2O3/c1-13(6-7-14-8-10-15(23)11-9-14)22-19(25)21-12-18(24)16-4-2-3-5-17(16)20/h2-5,8-11,13,18,23-24H,6-7,12H2,1H3,(H2,21,22,25)
InChIKeyZLDWLSBEPBSSCM-UHFFFAOYSA-N
XLogP2.89
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxypentyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 111337923
methyl 4-[(3R)-3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]butyl]benzoate
CID 70590533
1-[(4-fluorophenyl)methyl]-3-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]urea
CID 38204563
4-[(3R)-3-[[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]amino]butyl]-N-methylbenzamide
CID 57249014
(2R)-2-bromo-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]propanamide
CID 97181612
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 75887806
1-[2-(2-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110893413
1-(4-ethylphenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 51944583
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 97187682
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide
CID 71982886
2,6-difluoro-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 2566393
1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110910380

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea?
The IUPAC name of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea (CID 110895529) is 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea?
The canonical SMILES for 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea is CC(CCc1ccc(O)cc1)NC(=O)NCC(O)c1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea?
The InChIKey is ZLDWLSBEPBSSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-13(6-7-14-8-10-15(23)11-9-14)22-19(25)21-12-18(24)16-4-2-3-5-17(16)20/h2-5,8-11,13,18,23-24H,6-7,12H2,1H3,(H2,21,22,25).
What are the key properties of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea?
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea has a molecular weight of 346.40 g/mol, XLogP of 2.89, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea is sourced from PubChem (CID 110895529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).