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

C18H22Cl2N3O- — CID 108868696

IUPAC1-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylphenyl]urea chloride
SMILESCCN(CC)c1ccc(NC(=O)Nc2ccc(Cl)cc2)c(C)c1.[Cl-]
InChIInChI=1S/C18H22ClN3O.ClH/c1-4-22(5-2)16-10-11-17(13(3)12-16)21-18(23)20-15-8-6-14(19)7-9-15;/h6-12H,4-5H2,1-3H3,(H2,20,21,23);1H/p-1
InChIKeyKSTZNGVUVYJZPV-UHFFFAOYSA-M
MW367.30 g/mol
LogP2.14
Rot. Bonds5

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

1-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylphenyl]urea chloride (PubChem CID 108868696) has the molecular formula C18H22Cl2N3O- and a molecular weight of 367.30 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylphenyl]urea chloride.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylphenyl]urea chloride
PubChem CID108868696
Molecular FormulaC18H22Cl2N3O-
Molecular Weight367.30 g/mol
Exact Mass366.11
IUPAC Name1-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylphenyl]urea chloride
SMILESCCN(CC)c1ccc(NC(=O)Nc2ccc(Cl)cc2)c(C)c1.[Cl-]
InChIInChI=1S/C18H22ClN3O.ClH/c1-4-22(5-2)16-10-11-17(13(3)12-16)21-18(23)20-15-8-6-14(19)7-9-15;/h6-12H,4-5H2,1-3H3,(H2,20,21,23);1H/p-1
InChIKeyKSTZNGVUVYJZPV-UHFFFAOYSA-M
XLogP2.14
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.30
LogP ≤ 52.14
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-(3,4-dichlorophenyl)-3-[4-(diethylamino)-2-methylphenyl]urea
CID 108866430
1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea
CID 46859691
N-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide chloride
CID 108884217
N-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylanilino]propanamide
CID 109038169
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)phenyl]propanediamide
CID 108955203
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108955230
1-[4-(diethylamino)-2-methylphenyl]-3-(2,3-dimethylquinoxalin-6-yl)urea chloride
CID 108885688
N-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide
CID 108884218
1-(3-chloro-4-fluorophenyl)-3-[4-(diethylamino)phenyl]urea
CID 108991877
1-[4-(diethylamino)-2-methylphenyl]-3-(3-fluorophenyl)urea
CID 108894002
1-[4-(diethylamino)phenyl]-3-(2,5-difluorophenyl)urea
CID 3383505
1-[4-(diethylamino)phenyl]-3-(2,4-difluorophenyl)urea
CID 970808

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylphenyl]urea chloride?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylphenyl]urea chloride (CID 108868696) is 1-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylphenyl]urea chloride.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylphenyl]urea chloride?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylphenyl]urea chloride is CCN(CC)c1ccc(NC(=O)Nc2ccc(Cl)cc2)c(C)c1.[Cl-].
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylphenyl]urea chloride?
The InChIKey is KSTZNGVUVYJZPV-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H22ClN3O.ClH/c1-4-22(5-2)16-10-11-17(13(3)12-16)21-18(23)20-15-8-6-14(19)7-9-15;/h6-12H,4-5H2,1-3H3,(H2,20,21,23);1H/p-1.
What are the key properties of 1-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylphenyl]urea chloride?
1-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylphenyl]urea chloride has a molecular weight of 367.30 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylphenyl]urea chloride is sourced from PubChem (CID 108868696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).