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

C16H15ClF2N2O2 — CID 111116756

IUPAC1-(4-chloro-2-fluorophenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
SMILESCC(NC(=O)Nc1ccc(Cl)cc1F)C(O)c1ccc(F)cc1
InChIInChI=1S/C16H15ClF2N2O2/c1-9(15(22)10-2-5-12(18)6-3-10)20-16(23)21-14-7-4-11(17)8-13(14)19/h2-9,15,22H,1H3,(H2,20,21,23)
InChIKeyVJOLJDKXWDNHTG-UHFFFAOYSA-N
MW340.76 g/mol
LogP3.86
Rot. Bonds4

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

1-(4-chloro-2-fluorophenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea (PubChem CID 111116756) has the molecular formula C16H15ClF2N2O2 and a molecular weight of 340.76 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
PubChem CID111116756
Molecular FormulaC16H15ClF2N2O2
Molecular Weight340.76 g/mol
Exact Mass340.08
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
SMILESCC(NC(=O)Nc1ccc(Cl)cc1F)C(O)c1ccc(F)cc1
InChIInChI=1S/C16H15ClF2N2O2/c1-9(15(22)10-2-5-12(18)6-3-10)20-16(23)21-14-7-4-11(17)8-13(14)19/h2-9,15,22H,1H3,(H2,20,21,23)
InChIKeyVJOLJDKXWDNHTG-UHFFFAOYSA-N
XLogP3.86
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.76
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-methylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
CID 111116733
1-(2,4-dimethylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
CID 111116714
1-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(2-methoxyphenyl)urea
CID 95979768
1-(4-chloro-2-fluorophenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]urea
CID 29039114
(2R)-2-[(4-chloro-2-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 79009986
1-(2,6-dimethylphenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
CID 111116785
1-(3-chloro-4-cyanophenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
CID 111116794
(2S)-N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide
CID 7961263
1-(4-amino-3-methylbutan-2-yl)-3-(2,4-difluorophenyl)urea
CID 113485155
(2S)-2-[(4-chloro-2-fluorophenyl)carbamoylamino]-3-methylpentanoic acid
CID 61471009
1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[(1S,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
CID 96516344
1-(2,4-difluorophenyl)-3-(2-fluoro-4-propan-2-ylphenyl)urea
CID 146780735

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea (CID 111116756) is 1-(4-chloro-2-fluorophenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea is CC(NC(=O)Nc1ccc(Cl)cc1F)C(O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea?
The InChIKey is VJOLJDKXWDNHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N2O2/c1-9(15(22)10-2-5-12(18)6-3-10)20-16(23)21-14-7-4-11(17)8-13(14)19/h2-9,15,22H,1H3,(H2,20,21,23).
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea?
1-(4-chloro-2-fluorophenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea has a molecular weight of 340.76 g/mol, XLogP of 3.86, 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-fluorophenyl)-3-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea is sourced from PubChem (CID 111116756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).