1-(4-chlorophenyl)-3-undecylurea

C18H29ClN2O — CID 3711116

IUPAC1-(4-chlorophenyl)-3-undecylurea
SMILESCCCCCCCCCCCNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H29ClN2O/c1-2-3-4-5-6-7-8-9-10-15-20-18(22)21-17-13-11-16(19)12-14-17/h11-14H,2-10,15H2,1H3,(H2,20,21,22)
InChIKeyFWSLECDAPINYIQ-UHFFFAOYSA-N
MW324.90 g/mol
LogP5.99
Rot. Bonds11

About 1-(4-chlorophenyl)-3-undecylurea

1-(4-chlorophenyl)-3-undecylurea (PubChem CID 3711116) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-undecylurea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-undecylurea
PubChem CID3711116
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC Name1-(4-chlorophenyl)-3-undecylurea
SMILESCCCCCCCCCCCNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H29ClN2O/c1-2-3-4-5-6-7-8-9-10-15-20-18(22)21-17-13-11-16(19)12-14-17/h11-14H,2-10,15H2,1H3,(H2,20,21,22)
InChIKeyFWSLECDAPINYIQ-UHFFFAOYSA-N
XLogP5.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.90
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-chlorophenyl)-3-undecylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(4-chlorophenyl)-N-nonyloxamide
CID 124542894
1-(4-fluorophenyl)-3-octadecylurea
CID 4518520
1-dodecyl-3-phenylurea
CID 3697946
1-(3-chlorophenyl)-3-undecylurea
CID 4294975
1-[4-(diethylamino)phenyl]-3-hexylurea
CID 71323969
1-dodecyl-3-(4-methoxyphenyl)urea
CID 172727415
1-(4-methylsulfanylphenyl)-3-pentylurea
CID 21064485
1-octadecyl-3-[4-[[4-(octadecylamino)phenyl]methyl]phenyl]urea
CID 176858089
N-[4-(tetradecylcarbamoylamino)phenyl]benzamide
CID 24820448
1-(4-chlorophenyl)-3-(octanoylamino)urea
CID 4170220
1-[4-[4-(4-hydroxyphenoxy)phenoxy]phenyl]-3-octadecylurea
CID 18183904
[4-[[4-(pentylcarbamoylamino)phenyl]methyl]phenyl]carbamic acid
CID 69144351

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-undecylurea?
The IUPAC name of 1-(4-chlorophenyl)-3-undecylurea (CID 3711116) is 1-(4-chlorophenyl)-3-undecylurea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-undecylurea?
The canonical SMILES for 1-(4-chlorophenyl)-3-undecylurea is CCCCCCCCCCCNC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-undecylurea?
The InChIKey is FWSLECDAPINYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2O/c1-2-3-4-5-6-7-8-9-10-15-20-18(22)21-17-13-11-16(19)12-14-17/h11-14H,2-10,15H2,1H3,(H2,20,21,22).
What are the key properties of 1-(4-chlorophenyl)-3-undecylurea?
1-(4-chlorophenyl)-3-undecylurea has a molecular weight of 324.90 g/mol, XLogP of 5.99, 11 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-undecylurea is sourced from PubChem (CID 3711116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).