1-cycloheptyl-3-(2-fluoro-4-methylphenyl)urea

C15H21FN2O — CID 47132817

IUPAC1-cycloheptyl-3-(2-fluoro-4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC2CCCCCC2)c(F)c1
InChIInChI=1S/C15H21FN2O/c1-11-8-9-14(13(16)10-11)18-15(19)17-12-6-4-2-3-5-7-12/h8-10,12H,2-7H2,1H3,(H2,17,18,19)
InChIKeyJMZTWTBQHQJAAC-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.98
Rot. Bonds2

About 1-cycloheptyl-3-(2-fluoro-4-methylphenyl)urea

1-cycloheptyl-3-(2-fluoro-4-methylphenyl)urea (PubChem CID 47132817) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 1-cycloheptyl-3-(2-fluoro-4-methylphenyl)urea.

Molecular Properties

Compound Name1-cycloheptyl-3-(2-fluoro-4-methylphenyl)urea
PubChem CID47132817
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name1-cycloheptyl-3-(2-fluoro-4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC2CCCCCC2)c(F)c1
InChIInChI=1S/C15H21FN2O/c1-11-8-9-14(13(16)10-11)18-15(19)17-12-6-4-2-3-5-7-12/h8-10,12H,2-7H2,1H3,(H2,17,18,19)
InChIKeyJMZTWTBQHQJAAC-UHFFFAOYSA-N
XLogP3.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-3-(2-fluoro-4-methylphenyl)urea
CID 47103760
1-cyclohexyl-3-(2-fluoro-4-iodophenyl)urea
CID 1379880
2-(cyclopentylamino)-N-(2-fluoro-4-methylphenyl)acetamide
CID 60648408
1-(2-chloro-4-methylphenyl)-3-cyclobutylurea
CID 115617867
1-(2-amino-4-methylphenyl)-3-cyclopropylurea
CID 62699288
1-(4-chloro-2-methylphenyl)-3-cycloheptylurea
CID 47132649
1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea
CID 47103534
1-(4-cyano-2-fluorophenyl)-3-cyclobutylurea
CID 113268765
1-cyclohexyl-3-(4-fluoro-2-methoxyphenyl)urea
CID 47202448
2-[(2-fluoro-4-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82764317
1-(5-amino-2-fluorophenyl)-3-cyclohexylurea
CID 16777424
N-cyclopropyl-2-(2-fluoro-4-methylanilino)propanamide
CID 43088822

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(2-fluoro-4-methylphenyl)urea?
The IUPAC name of 1-cycloheptyl-3-(2-fluoro-4-methylphenyl)urea (CID 47132817) is 1-cycloheptyl-3-(2-fluoro-4-methylphenyl)urea.
What is the SMILES notation for 1-cycloheptyl-3-(2-fluoro-4-methylphenyl)urea?
The canonical SMILES for 1-cycloheptyl-3-(2-fluoro-4-methylphenyl)urea is Cc1ccc(NC(=O)NC2CCCCCC2)c(F)c1.
What is the InChIKey of 1-cycloheptyl-3-(2-fluoro-4-methylphenyl)urea?
The InChIKey is JMZTWTBQHQJAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-11-8-9-14(13(16)10-11)18-15(19)17-12-6-4-2-3-5-7-12/h8-10,12H,2-7H2,1H3,(H2,17,18,19).
What are the key properties of 1-cycloheptyl-3-(2-fluoro-4-methylphenyl)urea?
1-cycloheptyl-3-(2-fluoro-4-methylphenyl)urea has a molecular weight of 264.34 g/mol, XLogP of 3.98, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(2-fluoro-4-methylphenyl)urea is sourced from PubChem (CID 47132817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).