3-(2,6-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-1-(4-phenylcyclohexyl)urea

C28H31FN2O — CID 19935101

IUPAC3-(2,6-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-1-(4-phenylcyclohexyl)urea
SMILESCc1cccc(C)c1NC(=O)N(Cc1ccccc1F)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C28H31FN2O/c1-20-9-8-10-21(2)27(20)30-28(32)31(19-24-13-6-7-14-26(24)29)25-17-15-23(16-18-25)22-11-4-3-5-12-22/h3-14,23,25H,15-19H2,1-2H3,(H,30,32)
InChIKeyBOGICDXHDSJBFB-UHFFFAOYSA-N
MW430.57 g/mol
LogP7.20
Rot. Bonds5

About 3-(2,6-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-1-(4-phenylcyclohexyl)urea

3-(2,6-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-1-(4-phenylcyclohexyl)urea (PubChem CID 19935101) has the molecular formula C28H31FN2O and a molecular weight of 430.57 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-1-(4-phenylcyclohexyl)urea.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-1-(4-phenylcyclohexyl)urea
PubChem CID19935101
Molecular FormulaC28H31FN2O
Molecular Weight430.57 g/mol
Exact Mass430.24
IUPAC Name3-(2,6-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-1-(4-phenylcyclohexyl)urea
SMILESCc1cccc(C)c1NC(=O)N(Cc1ccccc1F)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C28H31FN2O/c1-20-9-8-10-21(2)27(20)30-28(32)31(19-24-13-6-7-14-26(24)29)25-17-15-23(16-18-25)22-11-4-3-5-12-22/h3-14,23,25H,15-19H2,1-2H3,(H,30,32)
InChIKeyBOGICDXHDSJBFB-UHFFFAOYSA-N
XLogP7.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.57
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(2,6-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-1-(4-phenylcyclohexyl)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-1-(4-phenylcyclohexyl)urea?
The IUPAC name of 3-(2,6-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-1-(4-phenylcyclohexyl)urea (CID 19935101) is 3-(2,6-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-1-(4-phenylcyclohexyl)urea.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-1-(4-phenylcyclohexyl)urea?
The canonical SMILES for 3-(2,6-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-1-(4-phenylcyclohexyl)urea is Cc1cccc(C)c1NC(=O)N(Cc1ccccc1F)C1CCC(c2ccccc2)CC1.
What is the InChIKey of 3-(2,6-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-1-(4-phenylcyclohexyl)urea?
The InChIKey is BOGICDXHDSJBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN2O/c1-20-9-8-10-21(2)27(20)30-28(32)31(19-24-13-6-7-14-26(24)29)25-17-15-23(16-18-25)22-11-4-3-5-12-22/h3-14,23,25H,15-19H2,1-2H3,(H,30,32).
What are the key properties of 3-(2,6-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-1-(4-phenylcyclohexyl)urea?
3-(2,6-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-1-(4-phenylcyclohexyl)urea has a molecular weight of 430.57 g/mol, XLogP of 7.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-1-(4-phenylcyclohexyl)urea is sourced from PubChem (CID 19935101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).