1-cyclohexyl-3-(2,3-dichlorophenyl)-1-prop-2-enylurea

C16H20Cl2N2O — CID 3833190

IUPAC1-cyclohexyl-3-(2,3-dichlorophenyl)-1-prop-2-enylurea
SMILESC=CCN(C(=O)Nc1cccc(Cl)c1Cl)C1CCCCC1
InChIInChI=1S/C16H20Cl2N2O/c1-2-11-20(12-7-4-3-5-8-12)16(21)19-14-10-6-9-13(17)15(14)18/h2,6,9-10,12H,1,3-5,7-8,11H2,(H,19,21)
InChIKeyHMFFRULZDVZDPR-UHFFFAOYSA-N
MW327.25 g/mol
LogP5.35
Rot. Bonds4

About 1-cyclohexyl-3-(2,3-dichlorophenyl)-1-prop-2-enylurea

1-cyclohexyl-3-(2,3-dichlorophenyl)-1-prop-2-enylurea (PubChem CID 3833190) has the molecular formula C16H20Cl2N2O and a molecular weight of 327.25 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2,3-dichlorophenyl)-1-prop-2-enylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2,3-dichlorophenyl)-1-prop-2-enylurea
PubChem CID3833190
Molecular FormulaC16H20Cl2N2O
Molecular Weight327.25 g/mol
Exact Mass326.10
IUPAC Name1-cyclohexyl-3-(2,3-dichlorophenyl)-1-prop-2-enylurea
SMILESC=CCN(C(=O)Nc1cccc(Cl)c1Cl)C1CCCCC1
InChIInChI=1S/C16H20Cl2N2O/c1-2-11-20(12-7-4-3-5-8-12)16(21)19-14-10-6-9-13(17)15(14)18/h2,6,9-10,12H,1,3-5,7-8,11H2,(H,19,21)
InChIKeyHMFFRULZDVZDPR-UHFFFAOYSA-N
XLogP5.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.25
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[cyclopentyl(prop-2-enyl)carbamoyl]amino]benzoate
CID 23991843
3-(2,3-dichlorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111423861
3-[4-chloro-3-(trifluoromethyl)phenyl]-1-cyclohexyl-1-prop-2-enylurea
CID 3790430
N-(2,3-dichlorophenyl)cyclohexanecarboxamide
CID 836509
1-cyclohexyl-3-[4-(dimethylamino)phenyl]-1-prop-2-enylurea
CID 3853475
2-chloro-N-[cyclohexyl(prop-2-enyl)carbamothioyl]benzamide
CID 3809645
N-cyclohexyl-2-(2,3-dichlorophenyl)-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 58924904
1-cyclopropyl-3-(2,3-dichlorophenyl)-1-(oxolan-3-ylmethyl)urea
CID 126775286
2-[acetyl(cyclopropyl)amino]-N-(2,3-dichlorophenyl)acetamide
CID 113158482
N-(2,3-dichlorophenyl)azepane-2-carboxamide
CID 64563193
3-(2,3-dichlorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]-1-prop-2-enylurea
CID 42760129
1-cyclohexyl-3-(3,5-dimethoxyphenyl)-1-prop-2-enylurea
CID 3597378

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2,3-dichlorophenyl)-1-prop-2-enylurea?
The IUPAC name of 1-cyclohexyl-3-(2,3-dichlorophenyl)-1-prop-2-enylurea (CID 3833190) is 1-cyclohexyl-3-(2,3-dichlorophenyl)-1-prop-2-enylurea.
What is the SMILES notation for 1-cyclohexyl-3-(2,3-dichlorophenyl)-1-prop-2-enylurea?
The canonical SMILES for 1-cyclohexyl-3-(2,3-dichlorophenyl)-1-prop-2-enylurea is C=CCN(C(=O)Nc1cccc(Cl)c1Cl)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2,3-dichlorophenyl)-1-prop-2-enylurea?
The InChIKey is HMFFRULZDVZDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O/c1-2-11-20(12-7-4-3-5-8-12)16(21)19-14-10-6-9-13(17)15(14)18/h2,6,9-10,12H,1,3-5,7-8,11H2,(H,19,21).
What are the key properties of 1-cyclohexyl-3-(2,3-dichlorophenyl)-1-prop-2-enylurea?
1-cyclohexyl-3-(2,3-dichlorophenyl)-1-prop-2-enylurea has a molecular weight of 327.25 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2,3-dichlorophenyl)-1-prop-2-enylurea is sourced from PubChem (CID 3833190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).