1-(2-fluoro-5-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea

C15H21FN2O2 — CID 111473171

IUPAC1-(2-fluoro-5-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
SMILESCc1ccc(F)c(NC(=O)NCC2CCCC(O)C2)c1
InChIInChI=1S/C15H21FN2O2/c1-10-5-6-13(16)14(7-10)18-15(20)17-9-11-3-2-4-12(19)8-11/h5-7,11-12,19H,2-4,8-9H2,1H3,(H2,17,18,20)
InChIKeyMGTKWALIMNADRI-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.81
Rot. Bonds3

About 1-(2-fluoro-5-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea

1-(2-fluoro-5-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea (PubChem CID 111473171) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
PubChem CID111473171
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name1-(2-fluoro-5-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
SMILESCc1ccc(F)c(NC(=O)NCC2CCCC(O)C2)c1
InChIInChI=1S/C15H21FN2O2/c1-10-5-6-13(16)14(7-10)18-15(20)17-9-11-3-2-4-12(19)8-11/h5-7,11-12,19H,2-4,8-9H2,1H3,(H2,17,18,20)
InChIKeyMGTKWALIMNADRI-UHFFFAOYSA-N
XLogP2.81
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(2-fluoro-5-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]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-(2-chloro-4-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472842
1-(5-fluoro-2-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472992
2-fluoro-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 103733972
1-(2,3-difluorophenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111474346
3-[[(2-fluoro-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 113243257
1-(3,4-dimethylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472619
1-[(3-hydroxycyclohexyl)methyl]-3-(2-propylphenyl)urea
CID 111473593
N'-(4-chloro-2-fluorophenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide
CID 111490664
1-(cyclopropylmethyl)-3-(2,5-difluorophenyl)urea
CID 3873240
1-[4-(dimethylamino)-3-methylphenyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111473697
1-[2-[ethyl(methyl)amino]phenyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111474827
1-[1-(2,4-dimethylphenyl)propan-2-yl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111506164

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea (CID 111473171) is 1-(2-fluoro-5-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea is Cc1ccc(F)c(NC(=O)NCC2CCCC(O)C2)c1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea?
The InChIKey is MGTKWALIMNADRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-10-5-6-13(16)14(7-10)18-15(20)17-9-11-3-2-4-12(19)8-11/h5-7,11-12,19H,2-4,8-9H2,1H3,(H2,17,18,20).
What are the key properties of 1-(2-fluoro-5-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea?
1-(2-fluoro-5-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea has a molecular weight of 280.34 g/mol, XLogP of 2.81, 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-[(3-hydroxycyclohexyl)methyl]urea is sourced from PubChem (CID 111473171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).