1-(2-fluoro-4-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea

C16H17FN2O2 — CID 61346672

IUPAC1-(2-fluoro-4-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
SMILESCc1ccc(NC(=O)Nc2cccc(C(C)O)c2)c(F)c1
InChIInChI=1S/C16H17FN2O2/c1-10-6-7-15(14(17)8-10)19-16(21)18-13-5-3-4-12(9-13)11(2)20/h3-9,11,20H,1-2H3,(H2,18,19,21)
InChIKeyIBVNWCZNQPBVRO-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.83
Rot. Bonds3

About 1-(2-fluoro-4-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea

1-(2-fluoro-4-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea (PubChem CID 61346672) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
PubChem CID61346672
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name1-(2-fluoro-4-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
SMILESCc1ccc(NC(=O)Nc2cccc(C(C)O)c2)c(F)c1
InChIInChI=1S/C16H17FN2O2/c1-10-6-7-15(14(17)8-10)19-16(21)18-13-5-3-4-12(9-13)11(2)20/h3-9,11,20H,1-2H3,(H2,18,19,21)
InChIKeyIBVNWCZNQPBVRO-UHFFFAOYSA-N
XLogP3.83
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-3-(2-fluoro-4-methylphenyl)urea
CID 46859946
1-(5-bromo-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61339972
1-(4-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 43508550
1-(4-bromo-2-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61341059
1-(3-chloro-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61348008
1-[3-(1-aminoethyl)phenyl]-3-(2,4-dimethylphenyl)urea
CID 61341644
1-(2-fluoro-5-methylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61346848
1-[3-(1-hydroxyethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea
CID 61346275
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea
CID 6467653
1-(4-aminophenyl)-3-(2-fluoro-4-methylphenyl)urea
CID 43469069
1-[3-(1-aminoethyl)phenyl]-3-(2-chloro-5-methylphenyl)urea
CID 107630153
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61341795

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea (CID 61346672) is 1-(2-fluoro-4-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea is Cc1ccc(NC(=O)Nc2cccc(C(C)O)c2)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea?
The InChIKey is IBVNWCZNQPBVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-10-6-7-15(14(17)8-10)19-16(21)18-13-5-3-4-12(9-13)11(2)20/h3-9,11,20H,1-2H3,(H2,18,19,21).
What are the key properties of 1-(2-fluoro-4-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea?
1-(2-fluoro-4-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea has a molecular weight of 288.32 g/mol, XLogP of 3.83, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea is sourced from PubChem (CID 61346672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).