1-(2,6-dimethylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea

C18H21FN2O2 — CID 111116785

IUPAC1-(2,6-dimethylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
SMILESCc1cccc(C)c1NC(=O)NC(C)C(O)c1ccc(F)cc1
InChIInChI=1S/C18H21FN2O2/c1-11-5-4-6-12(2)16(11)21-18(23)20-13(3)17(22)14-7-9-15(19)10-8-14/h4-10,13,17,22H,1-3H3,(H2,20,21,23)
InChIKeyFNZAEHIPMZJIAB-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.69
Rot. Bonds4

About 1-(2,6-dimethylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea

1-(2,6-dimethylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea (PubChem CID 111116785) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
PubChem CID111116785
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name1-(2,6-dimethylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
SMILESCc1cccc(C)c1NC(=O)NC(C)C(O)c1ccc(F)cc1
InChIInChI=1S/C18H21FN2O2/c1-11-5-4-6-12(2)16(11)21-18(23)20-13(3)17(22)14-7-9-15(19)10-8-14/h4-10,13,17,22H,1-3H3,(H2,20,21,23)
InChIKeyFNZAEHIPMZJIAB-UHFFFAOYSA-N
XLogP3.69
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
CID 111116714
1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[(1S,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
CID 96516344
1-(4-chloro-2-methylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
CID 111116733
1-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(2-methoxyphenyl)urea
CID 95979768
1-(4-acetylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
CID 111115072
1-(4-chloro-2-fluorophenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
CID 111116756
1-[(1R,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 95979765
N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2,5-dimethylbenzamide
CID 75385860
2-[(2,6-dimethylphenyl)carbamoylamino]propanoic acid
CID 61190244
(2S)-2-[(2,6-dimethylphenyl)carbamoylamino]propanoic acid
CID 28508457
1-[6-(dimethylamino)-3-pyridinyl]-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
CID 111116864
1-(3,3-difluorobutan-2-yl)-3-(2,6-dimethylphenyl)urea
CID 126818541

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea (CID 111116785) is 1-(2,6-dimethylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea is Cc1cccc(C)c1NC(=O)NC(C)C(O)c1ccc(F)cc1.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea?
The InChIKey is FNZAEHIPMZJIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-11-5-4-6-12(2)16(11)21-18(23)20-13(3)17(22)14-7-9-15(19)10-8-14/h4-10,13,17,22H,1-3H3,(H2,20,21,23).
What are the key properties of 1-(2,6-dimethylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea?
1-(2,6-dimethylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea has a molecular weight of 316.38 g/mol, XLogP of 3.69, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea is sourced from PubChem (CID 111116785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).