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

C20H26Cl2N3O- — CID 108900384

IUPAC1-[2-(2-chlorophenyl)ethyl]-3-[4-(diethylamino)-2-methylphenyl]urea chloride
SMILESCCN(CC)c1ccc(NC(=O)NCCc2ccccc2Cl)c(C)c1.[Cl-]
InChIInChI=1S/C20H26ClN3O.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;/h6-11,14H,4-5,12-13H2,1-3H3,(H2,22,23,25);1H/p-1
InChIKeyLSVROASOVKVSOW-UHFFFAOYSA-M
MW395.35 g/mol
LogP1.86
Rot. Bonds7

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

1-[2-(2-chlorophenyl)ethyl]-3-[4-(diethylamino)-2-methylphenyl]urea chloride (PubChem CID 108900384) has the molecular formula C20H26Cl2N3O- and a molecular weight of 395.35 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)ethyl]-3-[4-(diethylamino)-2-methylphenyl]urea chloride.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)ethyl]-3-[4-(diethylamino)-2-methylphenyl]urea chloride
PubChem CID108900384
Molecular FormulaC20H26Cl2N3O-
Molecular Weight395.35 g/mol
Exact Mass394.15
IUPAC Name1-[2-(2-chlorophenyl)ethyl]-3-[4-(diethylamino)-2-methylphenyl]urea chloride
SMILESCCN(CC)c1ccc(NC(=O)NCCc2ccccc2Cl)c(C)c1.[Cl-]
InChIInChI=1S/C20H26ClN3O.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;/h6-11,14H,4-5,12-13H2,1-3H3,(H2,22,23,25);1H/p-1
InChIKeyLSVROASOVKVSOW-UHFFFAOYSA-M
XLogP1.86
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.35
LogP ≤ 51.86
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-benzyl-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108871335
1-[4-(diethylamino)-2-methylphenyl]-3-(2-phenoxyethyl)urea chloride
CID 108887125
1-[2-(4-bromophenyl)ethyl]-3-[4-(diethylamino)-2-methylphenyl]urea
CID 108902455
1-[4-(diethylamino)-2-methylphenyl]-3-dodecylurea
CID 20826590
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108904848
1-[(2-bromophenyl)methyl]-3-[4-(diethylamino)-2-methylphenyl]urea
CID 108898002
1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea
CID 46859691
1-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108868696
1-(3,4-dichlorophenyl)-3-[4-(diethylamino)-2-methylphenyl]urea
CID 108866430
1-[4-(diethylamino)-2-methylphenyl]-3-(2-iodophenyl)urea
CID 108869059
N-[4-(diethylamino)-2-methylphenyl]-N'-(2-ethylphenyl)propanediamide
CID 108953999
1-[4-(diethylamino)-2-methylphenyl]-3-[3-(4-methylphenoxy)propyl]urea chloride
CID 108881458

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-3-[4-(diethylamino)-2-methylphenyl]urea chloride?
The IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-3-[4-(diethylamino)-2-methylphenyl]urea chloride (CID 108900384) is 1-[2-(2-chlorophenyl)ethyl]-3-[4-(diethylamino)-2-methylphenyl]urea chloride.
What is the SMILES notation for 1-[2-(2-chlorophenyl)ethyl]-3-[4-(diethylamino)-2-methylphenyl]urea chloride?
The canonical SMILES for 1-[2-(2-chlorophenyl)ethyl]-3-[4-(diethylamino)-2-methylphenyl]urea chloride is CCN(CC)c1ccc(NC(=O)NCCc2ccccc2Cl)c(C)c1.[Cl-].
What is the InChIKey of 1-[2-(2-chlorophenyl)ethyl]-3-[4-(diethylamino)-2-methylphenyl]urea chloride?
The InChIKey is LSVROASOVKVSOW-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H26ClN3O.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;/h6-11,14H,4-5,12-13H2,1-3H3,(H2,22,23,25);1H/p-1.
What are the key properties of 1-[2-(2-chlorophenyl)ethyl]-3-[4-(diethylamino)-2-methylphenyl]urea chloride?
1-[2-(2-chlorophenyl)ethyl]-3-[4-(diethylamino)-2-methylphenyl]urea chloride has a molecular weight of 395.35 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)ethyl]-3-[4-(diethylamino)-2-methylphenyl]urea chloride is sourced from PubChem (CID 108900384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).