1-cycloheptyl-3-(2,6-difluorophenyl)urea

C14H18F2N2O — CID 47132653

IUPAC1-cycloheptyl-3-(2,6-difluorophenyl)urea
SMILESO=C(Nc1c(F)cccc1F)NC1CCCCCC1
InChIInChI=1S/C14H18F2N2O/c15-11-8-5-9-12(16)13(11)18-14(19)17-10-6-3-1-2-4-7-10/h5,8-10H,1-4,6-7H2,(H2,17,18,19)
InChIKeyUKXCSBUCKYZFQK-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.81
Rot. Bonds2

About 1-cycloheptyl-3-(2,6-difluorophenyl)urea

1-cycloheptyl-3-(2,6-difluorophenyl)urea (PubChem CID 47132653) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-cycloheptyl-3-(2,6-difluorophenyl)urea.

Molecular Properties

Compound Name1-cycloheptyl-3-(2,6-difluorophenyl)urea
PubChem CID47132653
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name1-cycloheptyl-3-(2,6-difluorophenyl)urea
SMILESO=C(Nc1c(F)cccc1F)NC1CCCCCC1
InChIInChI=1S/C14H18F2N2O/c15-11-8-5-9-12(16)13(11)18-14(19)17-10-6-3-1-2-4-7-10/h5,8-10H,1-4,6-7H2,(H2,17,18,19)
InChIKeyUKXCSBUCKYZFQK-UHFFFAOYSA-N
XLogP3.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-6-fluorophenyl)-3-cyclopentylurea
CID 113252784
1-cyclobutyl-3-(2-fluoro-6-methylphenyl)urea
CID 104721687
1-cyclooctyl-3-(2,6-difluorophenyl)thiourea
CID 100663552
1-(2,6-difluorophenyl)-3-[(3R)-piperidin-3-yl]urea;hydrochloride
CID 165430557
1-(2-chloro-6-fluorophenyl)-3-cyclopropylurea
CID 108896615
2-N-cyclohexyl-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109132549
1-(1-cyclopropylpiperidin-4-yl)-3-(2,6-difluorophenyl)urea
CID 86986878
1-cyclopropyl-3-(2-fluoro-6-methoxyphenyl)urea
CID 126785956
N-cyclohexyl-2-(2,6-difluoroanilino)acetamide
CID 28879040
1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea
CID 4149033
1-cyclohexyl-3-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea
CID 17383040
N-cyclopentyl-2-(2,6-difluoroanilino)acetamide
CID 28879037

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(2,6-difluorophenyl)urea?
The IUPAC name of 1-cycloheptyl-3-(2,6-difluorophenyl)urea (CID 47132653) is 1-cycloheptyl-3-(2,6-difluorophenyl)urea.
What is the SMILES notation for 1-cycloheptyl-3-(2,6-difluorophenyl)urea?
The canonical SMILES for 1-cycloheptyl-3-(2,6-difluorophenyl)urea is O=C(Nc1c(F)cccc1F)NC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-(2,6-difluorophenyl)urea?
The InChIKey is UKXCSBUCKYZFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c15-11-8-5-9-12(16)13(11)18-14(19)17-10-6-3-1-2-4-7-10/h5,8-10H,1-4,6-7H2,(H2,17,18,19).
What are the key properties of 1-cycloheptyl-3-(2,6-difluorophenyl)urea?
1-cycloheptyl-3-(2,6-difluorophenyl)urea has a molecular weight of 268.31 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(2,6-difluorophenyl)urea is sourced from PubChem (CID 47132653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).