1-(4-chloro-2-methylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea

C17H18ClFN2O2 — CID 111116733

IUPAC1-(4-chloro-2-methylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
SMILESCc1cc(Cl)ccc1NC(=O)NC(C)C(O)c1ccc(F)cc1
InChIInChI=1S/C17H18ClFN2O2/c1-10-9-13(18)5-8-15(10)21-17(23)20-11(2)16(22)12-3-6-14(19)7-4-12/h3-9,11,16,22H,1-2H3,(H2,20,21,23)
InChIKeyILOXHMGTLHRYBS-UHFFFAOYSA-N
MW336.79 g/mol
LogP4.03
Rot. Bonds4

About 1-(4-chloro-2-methylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea

1-(4-chloro-2-methylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea (PubChem CID 111116733) has the molecular formula C17H18ClFN2O2 and a molecular weight of 336.79 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
PubChem CID111116733
Molecular FormulaC17H18ClFN2O2
Molecular Weight336.79 g/mol
Exact Mass336.10
IUPAC Name1-(4-chloro-2-methylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
SMILESCc1cc(Cl)ccc1NC(=O)NC(C)C(O)c1ccc(F)cc1
InChIInChI=1S/C17H18ClFN2O2/c1-10-9-13(18)5-8-15(10)21-17(23)20-11(2)16(22)12-3-6-14(19)7-4-12/h3-9,11,16,22H,1-2H3,(H2,20,21,23)
InChIKeyILOXHMGTLHRYBS-UHFFFAOYSA-N
XLogP4.03
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-fluorophenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
CID 111116756
1-(2,4-dimethylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
CID 111116714
1-(4-chloro-2-methylphenyl)-3-propan-2-ylurea
CID 5199743
1-(4-chloro-2-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111452596
1-(2,6-dimethylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
CID 111116785
1-[(1S)-1-(3-chlorophenyl)ethyl]-3-(4-fluoro-2-methylphenyl)urea
CID 51945133
N-(4-chloro-2-methylphenyl)-2,2-difluoroacetamide
CID 103605147
1-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(2-methoxyphenyl)urea
CID 95979768
4-chloro-N-[(1S,2R)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-methyl-6-nitrobenzamide
CID 99779224
N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2,5-dimethylbenzamide
CID 75385860
2-[(4-chloro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 49276925
1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[(1S,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
CID 96516344

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea (CID 111116733) is 1-(4-chloro-2-methylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea is Cc1cc(Cl)ccc1NC(=O)NC(C)C(O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea?
The InChIKey is ILOXHMGTLHRYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O2/c1-10-9-13(18)5-8-15(10)21-17(23)20-11(2)16(22)12-3-6-14(19)7-4-12/h3-9,11,16,22H,1-2H3,(H2,20,21,23).
What are the key properties of 1-(4-chloro-2-methylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea?
1-(4-chloro-2-methylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea has a molecular weight of 336.79 g/mol, XLogP of 4.03, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea is sourced from PubChem (CID 111116733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).