1-(4-chlorophenyl)-3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]urea

C15H17ClN2O — CID 135231061

IUPAC1-(4-chlorophenyl)-3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]urea
SMILESC=C/C(=C\C=C/C)CNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O/c1-3-5-6-12(4-2)11-17-15(19)18-14-9-7-13(16)8-10-14/h3-10H,2,11H2,1H3,(H2,17,18,19)/b5-3-,12-6+
InChIKeyXTOQHTDBSVBXGZ-YXMBOXQASA-N
MW276.77 g/mol
LogP4.15
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]urea

1-(4-chlorophenyl)-3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]urea (PubChem CID 135231061) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]urea
PubChem CID135231061
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name1-(4-chlorophenyl)-3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]urea
SMILESC=C/C(=C\C=C/C)CNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O/c1-3-5-6-12(4-2)11-17-15(19)18-14-9-7-13(16)8-10-14/h3-10H,2,11H2,1H3,(H2,17,18,19)/b5-3-,12-6+
InChIKeyXTOQHTDBSVBXGZ-YXMBOXQASA-N
XLogP4.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-3-[4-[(2-phenylphenoxy)methyl]phenyl]urea
CID 118550333
1-(4-chlorophenyl)-3-(2-oxopropyl)urea
CID 64994340
(3Z,5Z)-N-[[4-[(4-chlorophenyl)methylcarbamoylamino]phenyl]methyl]-3-methanimidoylhepta-3,5-dienamide
CID 156824996
1-(4-chlorophenyl)-3-ethenylurea
CID 108909138
propan-2-yl 2-[(4-chlorophenyl)carbamoylamino]acetate
CID 110191719
N-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]prop-2-enamide
CID 145160973
2-[(4-chlorophenyl)carbamoylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 110407251
1-(4-chlorophenyl)-3-[(2R)-2-hydroxy-2-methylbutyl]urea
CID 94797935
1-(4-chlorophenyl)-3-(2-hydroxy-2-methylbutyl)urea
CID 47093325
1-(2-chloroprop-2-enyl)-3-(4-methylphenyl)urea
CID 115640170
1-(4-chlorophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 94863126
1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]urea (CID 135231061) is 1-(4-chlorophenyl)-3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]urea is C=C/C(=C\C=C/C)CNC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]urea?
The InChIKey is XTOQHTDBSVBXGZ-YXMBOXQASA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-3-5-6-12(4-2)11-17-15(19)18-14-9-7-13(16)8-10-14/h3-10H,2,11H2,1H3,(H2,17,18,19)/b5-3-,12-6+.
What are the key properties of 1-(4-chlorophenyl)-3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]urea?
1-(4-chlorophenyl)-3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]urea has a molecular weight of 276.77 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]urea is sourced from PubChem (CID 135231061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).