1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[4-(diethylamino)-2-methylphenyl]urea

C20H24ClN3O — CID 108906713

IUPAC1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[4-(diethylamino)-2-methylphenyl]urea
SMILESCCN(CC)c1ccc(NC(=O)N/C=C/c2cccc(Cl)c2)c(C)c1
InChIInChI=1S/C20H24ClN3O/c1-4-24(5-2)18-9-10-19(15(3)13-18)23-20(25)22-12-11-16-7-6-8-17(21)14-16/h6-14H,4-5H2,1-3H3,(H2,22,23,25)/b12-11+
InChIKeyMEZCPWSXRBLZBI-VAWYXSNFSA-N
MW357.89 g/mol
LogP5.29
Rot. Bonds6

About 1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[4-(diethylamino)-2-methylphenyl]urea

1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[4-(diethylamino)-2-methylphenyl]urea (PubChem CID 108906713) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is 1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[4-(diethylamino)-2-methylphenyl]urea.

Molecular Properties

Compound Name1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[4-(diethylamino)-2-methylphenyl]urea
PubChem CID108906713
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[4-(diethylamino)-2-methylphenyl]urea
SMILESCCN(CC)c1ccc(NC(=O)N/C=C/c2cccc(Cl)c2)c(C)c1
InChIInChI=1S/C20H24ClN3O/c1-4-24(5-2)18-9-10-19(15(3)13-18)23-20(25)22-12-11-16-7-6-8-17(21)14-16/h6-14H,4-5H2,1-3H3,(H2,22,23,25)/b12-11+
InChIKeyMEZCPWSXRBLZBI-VAWYXSNFSA-N
XLogP5.29
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.89
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108904848
1-[4-(diethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905550
1-[4-(diethylamino)-2-methylphenyl]-3-[(E)-2-methylbut-1-enyl]urea
CID 108914464
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108955230
N-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide
CID 108884218
1-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108868696
(E)-N-[4-(diethylamino)-2-methylphenyl]-3-phenylprop-2-enamide
CID 959463
N-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide chloride
CID 108884217
N-[2-(3-chlorophenyl)ethyl]-N'-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108986593
1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea
CID 46859691
1-[(E)-2-(3-chlorophenyl)ethenyl]-3-pentylurea
CID 108906578
1-[4-(diethylamino)-2-methylphenyl]-3-(3-fluorophenyl)urea
CID 108894002

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[4-(diethylamino)-2-methylphenyl]urea?
The IUPAC name of 1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[4-(diethylamino)-2-methylphenyl]urea (CID 108906713) is 1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[4-(diethylamino)-2-methylphenyl]urea.
What is the SMILES notation for 1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[4-(diethylamino)-2-methylphenyl]urea?
The canonical SMILES for 1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[4-(diethylamino)-2-methylphenyl]urea is CCN(CC)c1ccc(NC(=O)N/C=C/c2cccc(Cl)c2)c(C)c1.
What is the InChIKey of 1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[4-(diethylamino)-2-methylphenyl]urea?
The InChIKey is MEZCPWSXRBLZBI-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-4-24(5-2)18-9-10-19(15(3)13-18)23-20(25)22-12-11-16-7-6-8-17(21)14-16/h6-14H,4-5H2,1-3H3,(H2,22,23,25)/b12-11+.
What are the key properties of 1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[4-(diethylamino)-2-methylphenyl]urea?
1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[4-(diethylamino)-2-methylphenyl]urea has a molecular weight of 357.89 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[4-(diethylamino)-2-methylphenyl]urea is sourced from PubChem (CID 108906713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).