1-(cyclohexylidenemethyl)-3-(3,5-dichlorophenyl)urea

C14H16Cl2N2O — CID 108912618

IUPAC1-(cyclohexylidenemethyl)-3-(3,5-dichlorophenyl)urea
SMILESO=C(NC=C1CCCCC1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H16Cl2N2O/c15-11-6-12(16)8-13(7-11)18-14(19)17-9-10-4-2-1-3-5-10/h6-9H,1-5H2,(H2,17,18,19)
InChIKeyXAFUTSMCZLACSV-UHFFFAOYSA-N
MW299.20 g/mol
LogP4.96
Rot. Bonds2

About 1-(cyclohexylidenemethyl)-3-(3,5-dichlorophenyl)urea

1-(cyclohexylidenemethyl)-3-(3,5-dichlorophenyl)urea (PubChem CID 108912618) has the molecular formula C14H16Cl2N2O and a molecular weight of 299.20 g/mol. Its IUPAC name is 1-(cyclohexylidenemethyl)-3-(3,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(cyclohexylidenemethyl)-3-(3,5-dichlorophenyl)urea
PubChem CID108912618
Molecular FormulaC14H16Cl2N2O
Molecular Weight299.20 g/mol
Exact Mass298.06
IUPAC Name1-(cyclohexylidenemethyl)-3-(3,5-dichlorophenyl)urea
SMILESO=C(NC=C1CCCCC1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H16Cl2N2O/c15-11-6-12(16)8-13(7-11)18-14(19)17-9-10-4-2-1-3-5-10/h6-9H,1-5H2,(H2,17,18,19)
InChIKeyXAFUTSMCZLACSV-UHFFFAOYSA-N
XLogP4.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-aminophenyl)-3-(cyclopentylidenemethyl)urea
CID 108913432
2-[4-(cyclohexylidenemethylcarbamoylamino)phenyl]acetic acid
CID 108912522
1-(cyclopentylidenemethyl)-3-(3-methylphenyl)urea
CID 108913541
1-[(E)-2-cyclohexylethenyl]-3-(3,5-dichlorophenyl)urea
CID 108912245
3-(cyclohexylidenemethylcarbamoylamino)benzenesulfonic acid
CID 108912372
1-(cyclohexylidenemethyl)-3-pyrimidin-2-ylurea
CID 108912511
1-(cyclohexylidenemethyl)-3-(2,3,4-trifluorophenyl)urea
CID 108912672
1-(cyclopentylidenemethyl)-3-(2,4,6-trimethylphenyl)urea
CID 108913521
1-(cyclopentylidenemethyl)-3-(2,4-difluorophenyl)urea
CID 108913742
1-(3,5-dichlorophenyl)-3-(4-piperidin-1-ylphenyl)urea
CID 108992520
2-(cyclohexylidenemethylcarbamoylamino)acetic acid
CID 108912438
1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(cyclopentylidenemethyl)urea
CID 108913571

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylidenemethyl)-3-(3,5-dichlorophenyl)urea?
The IUPAC name of 1-(cyclohexylidenemethyl)-3-(3,5-dichlorophenyl)urea (CID 108912618) is 1-(cyclohexylidenemethyl)-3-(3,5-dichlorophenyl)urea.
What is the SMILES notation for 1-(cyclohexylidenemethyl)-3-(3,5-dichlorophenyl)urea?
The canonical SMILES for 1-(cyclohexylidenemethyl)-3-(3,5-dichlorophenyl)urea is O=C(NC=C1CCCCC1)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(cyclohexylidenemethyl)-3-(3,5-dichlorophenyl)urea?
The InChIKey is XAFUTSMCZLACSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O/c15-11-6-12(16)8-13(7-11)18-14(19)17-9-10-4-2-1-3-5-10/h6-9H,1-5H2,(H2,17,18,19).
What are the key properties of 1-(cyclohexylidenemethyl)-3-(3,5-dichlorophenyl)urea?
1-(cyclohexylidenemethyl)-3-(3,5-dichlorophenyl)urea has a molecular weight of 299.20 g/mol, XLogP of 4.96, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylidenemethyl)-3-(3,5-dichlorophenyl)urea is sourced from PubChem (CID 108912618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).