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

C16H17FN2O3 — CID 110895643

IUPAC1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(4-hydroxyphenyl)methyl]urea
SMILESO=C(NCc1ccc(O)cc1)NCC(O)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O3/c17-13-5-3-12(4-6-13)15(21)10-19-16(22)18-9-11-1-7-14(20)8-2-11/h1-8,15,20-21H,9-10H2,(H2,18,19,22)
InChIKeyNMEGUARKRQZSAG-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.06
Rot. Bonds5

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

1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(4-hydroxyphenyl)methyl]urea (PubChem CID 110895643) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(4-hydroxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(4-hydroxyphenyl)methyl]urea
PubChem CID110895643
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(4-hydroxyphenyl)methyl]urea
SMILESO=C(NCc1ccc(O)cc1)NCC(O)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O3/c17-13-5-3-12(4-6-13)15(21)10-19-16(22)18-9-11-1-7-14(20)8-2-11/h1-8,15,20-21H,9-10H2,(H2,18,19,22)
InChIKeyNMEGUARKRQZSAG-UHFFFAOYSA-N
XLogP2.06
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(4-hydroxyphenyl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 110893336
1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-[(4-hydroxyphenyl)methyl]urea
CID 111111377
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(3-methylphenyl)methyl]urea
CID 110893364
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-prop-2-ynylurea
CID 110893329
1-[(4-fluorophenyl)methyl]-3-[(3R)-3-hydroxy-3-phenylpropyl]urea
CID 97038671
1-benzyl-3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 56765522
1-benzyl-3-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]urea
CID 97417039
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110896199
1-[(1-ethylcyclopropyl)methyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 111833784
3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoylamino]methyl]-N-propylbenzamide
CID 86996508
1-(1-benzothiophen-3-ylmethyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 166233157
1-[(4-butoxy-3-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 86996503

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(4-hydroxyphenyl)methyl]urea?
The IUPAC name of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(4-hydroxyphenyl)methyl]urea (CID 110895643) is 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(4-hydroxyphenyl)methyl]urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(4-hydroxyphenyl)methyl]urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(4-hydroxyphenyl)methyl]urea is O=C(NCc1ccc(O)cc1)NCC(O)c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(4-hydroxyphenyl)methyl]urea?
The InChIKey is NMEGUARKRQZSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c17-13-5-3-12(4-6-13)15(21)10-19-16(22)18-9-11-1-7-14(20)8-2-11/h1-8,15,20-21H,9-10H2,(H2,18,19,22).
What are the key properties of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(4-hydroxyphenyl)methyl]urea?
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(4-hydroxyphenyl)methyl]urea has a molecular weight of 304.32 g/mol, XLogP of 2.06, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(4-hydroxyphenyl)methyl]urea is sourced from PubChem (CID 110895643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).