1-(3-chloro-2-fluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea

C16H16ClFN2O2 — CID 111335599

IUPAC1-(3-chloro-2-fluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea
SMILESCC(O)(CNC(=O)Nc1cccc(Cl)c1F)c1ccccc1
InChIInChI=1S/C16H16ClFN2O2/c1-16(22,11-6-3-2-4-7-11)10-19-15(21)20-13-9-5-8-12(17)14(13)18/h2-9,22H,10H2,1H3,(H2,19,20,21)
InChIKeyUTEKQKSJHDBRIW-UHFFFAOYSA-N
MW322.77 g/mol
LogP3.51
Rot. Bonds4

About 1-(3-chloro-2-fluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea

1-(3-chloro-2-fluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea (PubChem CID 111335599) has the molecular formula C16H16ClFN2O2 and a molecular weight of 322.77 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea
PubChem CID111335599
Molecular FormulaC16H16ClFN2O2
Molecular Weight322.77 g/mol
Exact Mass322.09
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea
SMILESCC(O)(CNC(=O)Nc1cccc(Cl)c1F)c1ccccc1
InChIInChI=1S/C16H16ClFN2O2/c1-16(22,11-6-3-2-4-7-11)10-19-15(21)20-13-9-5-8-12(17)14(13)18/h2-9,22H,10H2,1H3,(H2,19,20,21)
InChIKeyUTEKQKSJHDBRIW-UHFFFAOYSA-N
XLogP3.51
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115584044
1-(3-chloro-2-fluorophenyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
CID 111437548
1-(3-chloro-2-fluorophenyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111473330
N'-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)oxamide
CID 111335829
3-[(2-chlorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173014
4-[(2-chlorophenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66001350
1-(3,4-difluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335572
(2R)-2-[(3-chloro-2-fluorophenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 103927583
1-(2-hydroxy-2-phenylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 121112096
4-[(2,3-dichlorophenyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66002599
1-(2-chlorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111472648
5-(3-chloro-2-fluoroanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 27156582

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea (CID 111335599) is 1-(3-chloro-2-fluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea is CC(O)(CNC(=O)Nc1cccc(Cl)c1F)c1ccccc1.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea?
The InChIKey is UTEKQKSJHDBRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O2/c1-16(22,11-6-3-2-4-7-11)10-19-15(21)20-13-9-5-8-12(17)14(13)18/h2-9,22H,10H2,1H3,(H2,19,20,21).
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea?
1-(3-chloro-2-fluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea has a molecular weight of 322.77 g/mol, XLogP of 3.51, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea is sourced from PubChem (CID 111335599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).