1-[2-fluoro-2-(2-methylphenyl)propyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea

C23H24FN3O — CID 67053109

IUPAC1-[2-fluoro-2-(2-methylphenyl)propyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
SMILESCc1cc(-c2ccc(NC(=O)NCC(C)(F)c3ccccc3C)cc2)ccn1
InChIInChI=1S/C23H24FN3O/c1-16-6-4-5-7-21(16)23(3,24)15-26-22(28)27-20-10-8-18(9-11-20)19-12-13-25-17(2)14-19/h4-14H,15H2,1-3H3,(H2,26,27,28)
InChIKeyHFKPWXOLIALGJO-UHFFFAOYSA-N
MW377.46 g/mol
LogP5.37
Rot. Bonds5

About 1-[2-fluoro-2-(2-methylphenyl)propyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea

1-[2-fluoro-2-(2-methylphenyl)propyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea (PubChem CID 67053109) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is 1-[2-fluoro-2-(2-methylphenyl)propyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-fluoro-2-(2-methylphenyl)propyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
PubChem CID67053109
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC Name1-[2-fluoro-2-(2-methylphenyl)propyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
SMILESCc1cc(-c2ccc(NC(=O)NCC(C)(F)c3ccccc3C)cc2)ccn1
InChIInChI=1S/C23H24FN3O/c1-16-6-4-5-7-21(16)23(3,24)15-26-22(28)27-20-10-8-18(9-11-20)19-12-13-25-17(2)14-19/h4-14H,15H2,1-3H3,(H2,26,27,28)
InChIKeyHFKPWXOLIALGJO-UHFFFAOYSA-N
XLogP5.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.46
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[2-fluoro-2-(2-methylphenyl)propyl]-3-[4-(2-methyl-4-pyridinyl)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-[2-(2-fluorophenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053168
1-[1-(2-methylphenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053045
1-(2-ethylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053153
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-phenylacetamide
CID 67308361
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[2-(trifluoromethoxy)phenyl]acetamide
CID 67308184
1-[2-(2,4-dichlorophenyl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053167
1-[4-(2-methyl-4-pyridinyl)phenyl]-3-(2-quinolin-6-ylethyl)urea
CID 67053039
1-[1-(3-cyanophenyl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053091
4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-phenylphenyl)pentanamide
CID 67309518
2-(1-benzothiophen-3-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
CID 67309295
1-[1-(2,4-dichlorophenyl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053166
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-phenylmethoxyphenyl)acetamide
CID 67308831

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-2-(2-methylphenyl)propyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea?
The IUPAC name of 1-[2-fluoro-2-(2-methylphenyl)propyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea (CID 67053109) is 1-[2-fluoro-2-(2-methylphenyl)propyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea.
What is the SMILES notation for 1-[2-fluoro-2-(2-methylphenyl)propyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea?
The canonical SMILES for 1-[2-fluoro-2-(2-methylphenyl)propyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea is Cc1cc(-c2ccc(NC(=O)NCC(C)(F)c3ccccc3C)cc2)ccn1.
What is the InChIKey of 1-[2-fluoro-2-(2-methylphenyl)propyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea?
The InChIKey is HFKPWXOLIALGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O/c1-16-6-4-5-7-21(16)23(3,24)15-26-22(28)27-20-10-8-18(9-11-20)19-12-13-25-17(2)14-19/h4-14H,15H2,1-3H3,(H2,26,27,28).
What are the key properties of 1-[2-fluoro-2-(2-methylphenyl)propyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea?
1-[2-fluoro-2-(2-methylphenyl)propyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea has a molecular weight of 377.46 g/mol, XLogP of 5.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-2-(2-methylphenyl)propyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea is sourced from PubChem (CID 67053109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).