1-[4-(4-chlorophenyl)butyl]-3-propylurea

C14H21ClN2O — CID 110357504

IUPAC1-[4-(4-chlorophenyl)butyl]-3-propylurea
SMILESCCCNC(=O)NCCCCc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-2-10-16-14(18)17-11-4-3-5-12-6-8-13(15)9-7-12/h6-9H,2-5,10-11H2,1H3,(H2,16,17,18)
InChIKeyBSEVRCGNNJNGTN-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.37
Rot. Bonds7

About 1-[4-(4-chlorophenyl)butyl]-3-propylurea

1-[4-(4-chlorophenyl)butyl]-3-propylurea (PubChem CID 110357504) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)butyl]-3-propylurea.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)butyl]-3-propylurea
PubChem CID110357504
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-[4-(4-chlorophenyl)butyl]-3-propylurea
SMILESCCCNC(=O)NCCCCc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O/c1-2-10-16-14(18)17-11-4-3-5-12-6-8-13(15)9-7-12/h6-9H,2-5,10-11H2,1H3,(H2,16,17,18)
InChIKeyBSEVRCGNNJNGTN-UHFFFAOYSA-N
XLogP3.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-decyl-3-[10-(4-hydroxyphenyl)decyl]urea
CID 18183954
1-[2-(4-chlorophenyl)ethyl]-3-(5-hydroxypentyl)urea
CID 108891921
N-butyl-4-(4-chlorophenyl)butanamide
CID 110297621
1-[2-(4-chlorophenyl)ethyl]-3-[3-(dimethylamino)propyl]urea
CID 108891914
1-[3-(4-hydroxyphenyl)propyl]-3-tetradecylurea
CID 19597070
1-[3-(4-hydroxyphenyl)propyl]-3-tridecylurea
CID 19597044
1-hexadecyl-3-[3-(4-hydroxyphenyl)propyl]urea
CID 19597093
1-[3-(4-chlorophenyl)propyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111505637
1-(4-heptylphenyl)-3-propylurea
CID 142021842
2-[2-(4-chlorophenyl)ethylamino]-N-pentylacetamide
CID 109002824
1-[(E)-but-1-enyl]-3-[2-(4-chlorophenyl)ethyl]urea
CID 108910845
1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043698

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)butyl]-3-propylurea?
The IUPAC name of 1-[4-(4-chlorophenyl)butyl]-3-propylurea (CID 110357504) is 1-[4-(4-chlorophenyl)butyl]-3-propylurea.
What is the SMILES notation for 1-[4-(4-chlorophenyl)butyl]-3-propylurea?
The canonical SMILES for 1-[4-(4-chlorophenyl)butyl]-3-propylurea is CCCNC(=O)NCCCCc1ccc(Cl)cc1.
What is the InChIKey of 1-[4-(4-chlorophenyl)butyl]-3-propylurea?
The InChIKey is BSEVRCGNNJNGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-2-10-16-14(18)17-11-4-3-5-12-6-8-13(15)9-7-12/h6-9H,2-5,10-11H2,1H3,(H2,16,17,18).
What are the key properties of 1-[4-(4-chlorophenyl)butyl]-3-propylurea?
1-[4-(4-chlorophenyl)butyl]-3-propylurea has a molecular weight of 268.79 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)butyl]-3-propylurea is sourced from PubChem (CID 110357504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).