1-(3-chlorophenyl)-3-[4-(diethylamino)butyl]urea

C15H24ClN3O — CID 110446856

IUPAC1-(3-chlorophenyl)-3-[4-(diethylamino)butyl]urea
SMILESCCN(CC)CCCCNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H24ClN3O/c1-3-19(4-2)11-6-5-10-17-15(20)18-14-9-7-8-13(16)12-14/h7-9,12H,3-6,10-11H2,1-2H3,(H2,17,18,20)
InChIKeyQMLPHLVDFOQMDY-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.58
Rot. Bonds8

About 1-(3-chlorophenyl)-3-[4-(diethylamino)butyl]urea

1-(3-chlorophenyl)-3-[4-(diethylamino)butyl]urea (PubChem CID 110446856) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[4-(diethylamino)butyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[4-(diethylamino)butyl]urea
PubChem CID110446856
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name1-(3-chlorophenyl)-3-[4-(diethylamino)butyl]urea
SMILESCCN(CC)CCCCNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H24ClN3O/c1-3-19(4-2)11-6-5-10-17-15(20)18-14-9-7-8-13(16)12-14/h7-9,12H,3-6,10-11H2,1-2H3,(H2,17,18,20)
InChIKeyQMLPHLVDFOQMDY-UHFFFAOYSA-N
XLogP3.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-3-undecylurea
CID 4294975
6-[(3-chlorophenyl)carbamoylamino]hexanoic acid
CID 13414912
1-[2-(diethylamino)ethyl]-3-(3-fluorophenyl)urea
CID 44755798
1-(4-amino-4-sulfanylidenebutyl)-3-(3-chlorophenyl)urea
CID 62668290
1-(2-chloro-6-fluorophenyl)-3-[3-(diethylamino)propyl]urea
CID 108896533
methyl 3-[(3-chlorophenyl)carbamoylamino]propanoate
CID 3440134
1-[3-(diethylamino)propyl]-3-(4-methylphenyl)urea
CID 4604027
1-[3-[butyl(pentyl)amino]propyl]-3-[3-[[3-[3-[butyl(pentyl)amino]propylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 139954193
1-(3-chlorophenyl)-3-[3-(1-phenylethoxy)propyl]urea
CID 74541947
1-(3-chlorophenyl)-3-[(4S)-4-[[(3-chlorophenyl)carbamoylamino]methyl]-4-ethyloctyl]urea
CID 27255107
1-(3-chlorophenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883801
1-(5-chloro-2-methoxyphenyl)-3-[3-(diethylamino)propyl]urea
CID 108875528

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[4-(diethylamino)butyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[4-(diethylamino)butyl]urea (CID 110446856) is 1-(3-chlorophenyl)-3-[4-(diethylamino)butyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[4-(diethylamino)butyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[4-(diethylamino)butyl]urea is CCN(CC)CCCCNC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[4-(diethylamino)butyl]urea?
The InChIKey is QMLPHLVDFOQMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-3-19(4-2)11-6-5-10-17-15(20)18-14-9-7-8-13(16)12-14/h7-9,12H,3-6,10-11H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-(3-chlorophenyl)-3-[4-(diethylamino)butyl]urea?
1-(3-chlorophenyl)-3-[4-(diethylamino)butyl]urea has a molecular weight of 297.83 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[4-(diethylamino)butyl]urea is sourced from PubChem (CID 110446856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).