1-cyclohexyl-3-(3,4-difluorophenyl)urea

C13H16F2N2O — CID 896465

IUPAC1-cyclohexyl-3-(3,4-difluorophenyl)urea
SMILESO=C(Nc1ccc(F)c(F)c1)NC1CCCCC1
InChIInChI=1S/C13H16F2N2O/c14-11-7-6-10(8-12(11)15)17-13(18)16-9-4-2-1-3-5-9/h6-9H,1-5H2,(H2,16,17,18)
InChIKeyVXVLKNJPTKDNCL-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.42
Rot. Bonds2

About 1-cyclohexyl-3-(3,4-difluorophenyl)urea

1-cyclohexyl-3-(3,4-difluorophenyl)urea (PubChem CID 896465) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(3,4-difluorophenyl)urea
PubChem CID896465
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name1-cyclohexyl-3-(3,4-difluorophenyl)urea
SMILESO=C(Nc1ccc(F)c(F)c1)NC1CCCCC1
InChIInChI=1S/C13H16F2N2O/c14-11-7-6-10(8-12(11)15)17-13(18)16-9-4-2-1-3-5-9/h6-9H,1-5H2,(H2,16,17,18)
InChIKeyVXVLKNJPTKDNCL-UHFFFAOYSA-N
XLogP3.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Siduron
CID 16116
Carbanilide
CID 7595
Fenuron
CID 7560
N-Methyl-N',N'-diphenylurea
CID 25711
4-Fluorophenylurea
CID 12612
Centralite
CID 6828
Urea, N-(1-methylethyl)-N'-phenyl-
CID 29852
1-Methyl-3-phenylurea
CID 13880
1,1-Dimethyl-3-(4-fluorophenyl)urea
CID 9514
1,3-Dimethyl-1,3-diphenylurea
CID 11917
1-(3-Chlorophenyl)-3-cyclohexylurea
CID 751320
N-Cyclopentyl-N'-phenylurea
CID 25740

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3,4-difluorophenyl)urea?
The IUPAC name of 1-cyclohexyl-3-(3,4-difluorophenyl)urea (CID 896465) is 1-cyclohexyl-3-(3,4-difluorophenyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(3,4-difluorophenyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(3,4-difluorophenyl)urea is O=C(Nc1ccc(F)c(F)c1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(3,4-difluorophenyl)urea?
The InChIKey is VXVLKNJPTKDNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c14-11-7-6-10(8-12(11)15)17-13(18)16-9-4-2-1-3-5-9/h6-9H,1-5H2,(H2,16,17,18).
What are the key properties of 1-cyclohexyl-3-(3,4-difluorophenyl)urea?
1-cyclohexyl-3-(3,4-difluorophenyl)urea has a molecular weight of 254.28 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3,4-difluorophenyl)urea is sourced from PubChem (CID 896465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).