1-(2-fluoro-5-methylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea

C16H17FN2O2 — CID 61346848

IUPAC1-(2-fluoro-5-methylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
SMILESCc1ccc(F)c(NC(=O)Nc2ccc(C(C)O)cc2)c1
InChIInChI=1S/C16H17FN2O2/c1-10-3-8-14(17)15(9-10)19-16(21)18-13-6-4-12(5-7-13)11(2)20/h3-9,11,20H,1-2H3,(H2,18,19,21)
InChIKeyZMQHUWLBACUMLJ-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.83
Rot. Bonds3

About 1-(2-fluoro-5-methylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea

1-(2-fluoro-5-methylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea (PubChem CID 61346848) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
PubChem CID61346848
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name1-(2-fluoro-5-methylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
SMILESCc1ccc(F)c(NC(=O)Nc2ccc(C(C)O)cc2)c1
InChIInChI=1S/C16H17FN2O2/c1-10-3-8-14(17)15(9-10)19-16(21)18-13-6-4-12(5-7-13)11(2)20/h3-9,11,20H,1-2H3,(H2,18,19,21)
InChIKeyZMQHUWLBACUMLJ-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

Analyze 1-(2-fluoro-5-methylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 742689
2-fluoro-N-[4-(1-hydroxyethyl)phenyl]-5-methylbenzamide
CID 62510659
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea
CID 6467653
1-[4-(1-aminoethyl)phenyl]-3-(2,5-difluorophenyl)urea
CID 61340178
1-(3-chloro-4-methylphenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 51046150
1-(2-fluoro-4-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61346672
1-(3,4-dimethylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61346481
1-(2,4-dimethylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991287
2-hydroxy-N-[4-(1-hydroxyethyl)phenyl]-5-methylbenzamide
CID 43508388
1-(2-fluoro-5-methylphenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 46859836
1-(5-bromo-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61339972
1-(1-cyclopropylethyl)-3-(2-fluoro-5-methylphenyl)urea
CID 47133216

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea (CID 61346848) is 1-(2-fluoro-5-methylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea is Cc1ccc(F)c(NC(=O)Nc2ccc(C(C)O)cc2)c1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea?
The InChIKey is ZMQHUWLBACUMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-10-3-8-14(17)15(9-10)19-16(21)18-13-6-4-12(5-7-13)11(2)20/h3-9,11,20H,1-2H3,(H2,18,19,21).
What are the key properties of 1-(2-fluoro-5-methylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea?
1-(2-fluoro-5-methylphenyl)-3-[4-(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-5-methylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea is sourced from PubChem (CID 61346848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).