1-(cyclohexylidenemethyl)-3-(2,3,4-trifluorophenyl)urea

C14H15F3N2O — CID 108912672

IUPAC1-(cyclohexylidenemethyl)-3-(2,3,4-trifluorophenyl)urea
SMILESO=C(NC=C1CCCCC1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H15F3N2O/c15-10-6-7-11(13(17)12(10)16)19-14(20)18-8-9-4-2-1-3-5-9/h6-8H,1-5H2,(H2,18,19,20)
InChIKeySEFGMCHVEQCBLW-UHFFFAOYSA-N
MW284.28 g/mol
LogP4.07
Rot. Bonds2

About 1-(cyclohexylidenemethyl)-3-(2,3,4-trifluorophenyl)urea

1-(cyclohexylidenemethyl)-3-(2,3,4-trifluorophenyl)urea (PubChem CID 108912672) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 1-(cyclohexylidenemethyl)-3-(2,3,4-trifluorophenyl)urea.

Molecular Properties

Compound Name1-(cyclohexylidenemethyl)-3-(2,3,4-trifluorophenyl)urea
PubChem CID108912672
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name1-(cyclohexylidenemethyl)-3-(2,3,4-trifluorophenyl)urea
SMILESO=C(NC=C1CCCCC1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H15F3N2O/c15-10-6-7-11(13(17)12(10)16)19-14(20)18-8-9-4-2-1-3-5-9/h6-8H,1-5H2,(H2,18,19,20)
InChIKeySEFGMCHVEQCBLW-UHFFFAOYSA-N
XLogP4.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(cyclopentylidenemethyl)-3-(2,4-difluorophenyl)urea
CID 108913742
1-propan-2-yl-3-(2,3,4-trifluorophenyl)urea
CID 47173418
N-(2,3,4-trifluorophenyl)azepane-1-carboxamide
CID 47193814
1-(cyclohexylidenemethyl)-3-pyrimidin-2-ylurea
CID 108912511
1-[(E)-2-(4-methylphenyl)ethenyl]-3-(2,3,4-trifluorophenyl)urea
CID 108907476
1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892630
(2S)-2-[(2,3,4-trifluorophenyl)carbamoylamino]propanoic acid
CID 28508673
1-[(1-hydroxycyclobutyl)methyl]-3-(2,3,4-trifluorophenyl)urea
CID 111437480
1-(2-hydroxycyclohexyl)-3-(2,3,4-trifluorophenyl)urea
CID 75948763
1-[(2,3,4-trifluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61182116
N-(2,3,4-trifluorophenyl)carbamoyl chloride
CID 135378895
1-[(E)-2-(2-methylphenyl)ethenyl]-3-(2,3,4-trifluorophenyl)urea
CID 108903751

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylidenemethyl)-3-(2,3,4-trifluorophenyl)urea?
The IUPAC name of 1-(cyclohexylidenemethyl)-3-(2,3,4-trifluorophenyl)urea (CID 108912672) is 1-(cyclohexylidenemethyl)-3-(2,3,4-trifluorophenyl)urea.
What is the SMILES notation for 1-(cyclohexylidenemethyl)-3-(2,3,4-trifluorophenyl)urea?
The canonical SMILES for 1-(cyclohexylidenemethyl)-3-(2,3,4-trifluorophenyl)urea is O=C(NC=C1CCCCC1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 1-(cyclohexylidenemethyl)-3-(2,3,4-trifluorophenyl)urea?
The InChIKey is SEFGMCHVEQCBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c15-10-6-7-11(13(17)12(10)16)19-14(20)18-8-9-4-2-1-3-5-9/h6-8H,1-5H2,(H2,18,19,20).
What are the key properties of 1-(cyclohexylidenemethyl)-3-(2,3,4-trifluorophenyl)urea?
1-(cyclohexylidenemethyl)-3-(2,3,4-trifluorophenyl)urea has a molecular weight of 284.28 g/mol, XLogP of 4.07, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylidenemethyl)-3-(2,3,4-trifluorophenyl)urea is sourced from PubChem (CID 108912672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).