1-(4-fluoro-2-methylphenyl)-3-(4-hydroxy-1-phenylbutyl)urea

C18H21FN2O2 — CID 56795035

IUPAC1-(4-fluoro-2-methylphenyl)-3-(4-hydroxy-1-phenylbutyl)urea
SMILESCc1cc(F)ccc1NC(=O)NC(CCCO)c1ccccc1
InChIInChI=1S/C18H21FN2O2/c1-13-12-15(19)9-10-16(13)20-18(23)21-17(8-5-11-22)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,22H,5,8,11H2,1H3,(H2,20,21,23)
InChIKeyJXEOWYDMAPEFDW-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.77
Rot. Bonds6

About 1-(4-fluoro-2-methylphenyl)-3-(4-hydroxy-1-phenylbutyl)urea

1-(4-fluoro-2-methylphenyl)-3-(4-hydroxy-1-phenylbutyl)urea (PubChem CID 56795035) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-3-(4-hydroxy-1-phenylbutyl)urea.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-3-(4-hydroxy-1-phenylbutyl)urea
PubChem CID56795035
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name1-(4-fluoro-2-methylphenyl)-3-(4-hydroxy-1-phenylbutyl)urea
SMILESCc1cc(F)ccc1NC(=O)NC(CCCO)c1ccccc1
InChIInChI=1S/C18H21FN2O2/c1-13-12-15(19)9-10-16(13)20-18(23)21-17(8-5-11-22)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,22H,5,8,11H2,1H3,(H2,20,21,23)
InChIKeyJXEOWYDMAPEFDW-UHFFFAOYSA-N
XLogP3.77
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluoro-2-methylphenyl)-3-(4-hydroxy-1-phenylbutyl)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-(4-Fluorophenyl)-3-(4-phenylbutyl)urea
CID 24818667
1-(2-Methylphenyl)-3-(4-phenylbutyl)urea
CID 24819105
N'-(1-Hydroxybutan-2-yl)-N-naphthalen-1-ylcarbamimidic acid
CID 293444
1-(3-Fluorophenyl)-3-(4-phenylbutyl)urea
CID 24819619
N-(trans-4-hydroxycyclohexyl)-N'-[3-(trifluoromethyl)phenyl]urea
CID 60765046
1-(2-methylphenyl)-3-[(1S)-1-phenylethyl]urea
CID 76316067
(2S,3S,4R)-2-cyano-N-(3-fluorophenyl)-4-(hydroxymethyl)-3-phenyl-1-azetidinecarboxamide
CID 54650054
Urea, 1-(alpha-(hydroxymethyl)phenethyl)-3-phenyl-
CID 208999
N-(3-fluoro-4-methylphenyl)-N'-[(2S)-1-hydroxypropan-2-yl]urea
CID 93616379
1-(4-fluorophenyl)-3-[(1S)-1-phenylethyl]urea
CID 835092
1-(4-fluorophenyl)-3-[(1R)-1-phenylethyl]urea
CID 835094
1-(4-Fluorophenyl)-3-(2-hydroxy-2-phenylethyl)urea
CID 2812618

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-(4-hydroxy-1-phenylbutyl)urea?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-(4-hydroxy-1-phenylbutyl)urea (CID 56795035) is 1-(4-fluoro-2-methylphenyl)-3-(4-hydroxy-1-phenylbutyl)urea.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-3-(4-hydroxy-1-phenylbutyl)urea?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-3-(4-hydroxy-1-phenylbutyl)urea is Cc1cc(F)ccc1NC(=O)NC(CCCO)c1ccccc1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-3-(4-hydroxy-1-phenylbutyl)urea?
The InChIKey is JXEOWYDMAPEFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-13-12-15(19)9-10-16(13)20-18(23)21-17(8-5-11-22)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,22H,5,8,11H2,1H3,(H2,20,21,23).
What are the key properties of 1-(4-fluoro-2-methylphenyl)-3-(4-hydroxy-1-phenylbutyl)urea?
1-(4-fluoro-2-methylphenyl)-3-(4-hydroxy-1-phenylbutyl)urea has a molecular weight of 316.38 g/mol, XLogP of 3.77, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-3-(4-hydroxy-1-phenylbutyl)urea is sourced from PubChem (CID 56795035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).