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

C19H24ClN3O — CID 164627482

IUPAC1-(4-chlorophenyl)-3-[2-[4-(diethylamino)phenyl]ethyl]urea
SMILESCCN(CC)c1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H24ClN3O/c1-3-23(4-2)18-11-5-15(6-12-18)13-14-21-19(24)22-17-9-7-16(20)8-10-17/h5-12H,3-4,13-14H2,1-2H3,(H2,21,22,24)
InChIKeyGHEDXLYSCLPHRV-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.55
Rot. Bonds7

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

1-(4-chlorophenyl)-3-[2-[4-(diethylamino)phenyl]ethyl]urea (PubChem CID 164627482) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-[4-(diethylamino)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-[4-(diethylamino)phenyl]ethyl]urea
PubChem CID164627482
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name1-(4-chlorophenyl)-3-[2-[4-(diethylamino)phenyl]ethyl]urea
SMILESCCN(CC)c1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H24ClN3O/c1-3-23(4-2)18-11-5-15(6-12-18)13-14-21-19(24)22-17-9-7-16(20)8-10-17/h5-12H,3-4,13-14H2,1-2H3,(H2,21,22,24)
InChIKeyGHEDXLYSCLPHRV-UHFFFAOYSA-N
XLogP4.55
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-[4-(diethylamino)phenyl]ethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-[4-(diethylamino)phenyl]ethyl]urea (CID 164627482) is 1-(4-chlorophenyl)-3-[2-[4-(diethylamino)phenyl]ethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-[4-(diethylamino)phenyl]ethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-[4-(diethylamino)phenyl]ethyl]urea is CCN(CC)c1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-[4-(diethylamino)phenyl]ethyl]urea?
The InChIKey is GHEDXLYSCLPHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O/c1-3-23(4-2)18-11-5-15(6-12-18)13-14-21-19(24)22-17-9-7-16(20)8-10-17/h5-12H,3-4,13-14H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-(4-chlorophenyl)-3-[2-[4-(diethylamino)phenyl]ethyl]urea?
1-(4-chlorophenyl)-3-[2-[4-(diethylamino)phenyl]ethyl]urea has a molecular weight of 345.87 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-[4-(diethylamino)phenyl]ethyl]urea is sourced from PubChem (CID 164627482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).