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

C20H24Cl2N3O- — CID 108904848

IUPAC1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-(diethylamino)-2-methylphenyl]urea chloride
SMILESCCN(CC)c1ccc(NC(=O)N/C=C/c2ccccc2Cl)c(C)c1.[Cl-]
InChIInChI=1S/C20H24ClN3O.ClH/c1-4-24(5-2)17-10-11-19(15(3)14-17)23-20(25)22-13-12-16-8-6-7-9-18(16)21;/h6-14H,4-5H2,1-3H3,(H2,22,23,25);1H/p-1/b13-12+;
InChIKeyNLXVLTUQLIFQNM-UEIGIMKUSA-M
MW393.34 g/mol
LogP2.29
Rot. Bonds6

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

1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-(diethylamino)-2-methylphenyl]urea chloride (PubChem CID 108904848) has the molecular formula C20H24Cl2N3O- and a molecular weight of 393.34 g/mol. Its IUPAC name is 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-(diethylamino)-2-methylphenyl]urea chloride.

Molecular Properties

Compound Name1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-(diethylamino)-2-methylphenyl]urea chloride
PubChem CID108904848
Molecular FormulaC20H24Cl2N3O-
Molecular Weight393.34 g/mol
Exact Mass392.13
IUPAC Name1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-(diethylamino)-2-methylphenyl]urea chloride
SMILESCCN(CC)c1ccc(NC(=O)N/C=C/c2ccccc2Cl)c(C)c1.[Cl-]
InChIInChI=1S/C20H24ClN3O.ClH/c1-4-24(5-2)17-10-11-19(15(3)14-17)23-20(25)22-13-12-16-8-6-7-9-18(16)21;/h6-14H,4-5H2,1-3H3,(H2,22,23,25);1H/p-1/b13-12+;
InChIKeyNLXVLTUQLIFQNM-UEIGIMKUSA-M
XLogP2.29
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.34
LogP ≤ 52.29
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-(3-chlorophenyl)ethenyl]-3-[4-(diethylamino)-2-methylphenyl]urea
CID 108906713
1-[2-(2-chlorophenyl)ethyl]-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108900384
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(2-hydroxy-4-methylphenyl)urea
CID 108904840
1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea
CID 46859691
1-[4-(diethylamino)-2-methylphenyl]-3-[(E)-2-methylbut-1-enyl]urea
CID 108914464
1-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108868696
1-benzyl-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108871335
1-(3,4-dichlorophenyl)-3-[4-(diethylamino)-2-methylphenyl]urea
CID 108866430
1-[4-(diethylamino)-2-methylphenyl]-3-(2-iodophenyl)urea
CID 108869059
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108904841
(Z)-N-(2-chlorophenyl)-2-cyano-3-[4-(diethylamino)-2-methylanilino]prop-2-enamide chloride
CID 108824542
(E)-N-[4-(diethylamino)-2-methylphenyl]-3-phenylprop-2-enamide
CID 959463

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-(diethylamino)-2-methylphenyl]urea chloride?
The IUPAC name of 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-(diethylamino)-2-methylphenyl]urea chloride (CID 108904848) is 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-(diethylamino)-2-methylphenyl]urea chloride.
What is the SMILES notation for 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-(diethylamino)-2-methylphenyl]urea chloride?
The canonical SMILES for 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-(diethylamino)-2-methylphenyl]urea chloride is CCN(CC)c1ccc(NC(=O)N/C=C/c2ccccc2Cl)c(C)c1.[Cl-].
What is the InChIKey of 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-(diethylamino)-2-methylphenyl]urea chloride?
The InChIKey is NLXVLTUQLIFQNM-UEIGIMKUSA-M. The full InChI is InChI=1S/C20H24ClN3O.ClH/c1-4-24(5-2)17-10-11-19(15(3)14-17)23-20(25)22-13-12-16-8-6-7-9-18(16)21;/h6-14H,4-5H2,1-3H3,(H2,22,23,25);1H/p-1/b13-12+;.
What are the key properties of 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-(diethylamino)-2-methylphenyl]urea chloride?
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-(diethylamino)-2-methylphenyl]urea chloride has a molecular weight of 393.34 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-(diethylamino)-2-methylphenyl]urea chloride is sourced from PubChem (CID 108904848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).