1-[3-(4-tert-butylphenoxy)propyl]-3-(3,5-dichlorophenyl)urea

C20H24Cl2N2O2 — CID 108882902

IUPAC1-[3-(4-tert-butylphenoxy)propyl]-3-(3,5-dichlorophenyl)urea
SMILESCC(C)(C)c1ccc(OCCCNC(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C20H24Cl2N2O2/c1-20(2,3)14-5-7-18(8-6-14)26-10-4-9-23-19(25)24-17-12-15(21)11-16(22)13-17/h5-8,11-13H,4,9-10H2,1-3H3,(H2,23,24,25)
InChIKeyWCJAIWRXPQJSHT-UHFFFAOYSA-N
MW395.33 g/mol
LogP5.88
Rot. Bonds6

About 1-[3-(4-tert-butylphenoxy)propyl]-3-(3,5-dichlorophenyl)urea

1-[3-(4-tert-butylphenoxy)propyl]-3-(3,5-dichlorophenyl)urea (PubChem CID 108882902) has the molecular formula C20H24Cl2N2O2 and a molecular weight of 395.33 g/mol. Its IUPAC name is 1-[3-(4-tert-butylphenoxy)propyl]-3-(3,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[3-(4-tert-butylphenoxy)propyl]-3-(3,5-dichlorophenyl)urea
PubChem CID108882902
Molecular FormulaC20H24Cl2N2O2
Molecular Weight395.33 g/mol
Exact Mass394.12
IUPAC Name1-[3-(4-tert-butylphenoxy)propyl]-3-(3,5-dichlorophenyl)urea
SMILESCC(C)(C)c1ccc(OCCCNC(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C20H24Cl2N2O2/c1-20(2,3)14-5-7-18(8-6-14)26-10-4-9-23-19(25)24-17-12-15(21)11-16(22)13-17/h5-8,11-13H,4,9-10H2,1-3H3,(H2,23,24,25)
InChIKeyWCJAIWRXPQJSHT-UHFFFAOYSA-N
XLogP5.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.33
LogP ≤ 55.88
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-(4-amino-3-chlorophenyl)-3-[3-(4-tert-butylphenoxy)propyl]urea
CID 108882764
1-[3-(4-tert-butylphenoxy)propyl]-3-naphthalen-2-ylurea
CID 108882865
1-[3-(4-tert-butylphenoxy)propyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108882674
1-(4-amino-2-chlorophenyl)-3-[3-(4-tert-butylphenoxy)propyl]urea
CID 108882763
1-[2-(4-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112972893
1-[3-(4-tert-butylphenoxy)propyl]-3-ethylurea
CID 108882801
1-butyl-3-[3-(4-tert-butylphenoxy)propyl]urea
CID 108882694
1-[3-(4-tert-butylphenoxy)propyl]-3-(2-chloro-3-pyridinyl)urea
CID 108882793
1-[3-(4-tert-butylphenoxy)propyl]-3-(3-nitrophenyl)urea
CID 108882747
1-(4-tert-butylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972107
1-[2-(4-tert-butylphenoxy)ethyl]-3-(4-cyanophenyl)urea
CID 112972931
1-(4-tert-butylphenyl)-3-[3-(2-chlorophenoxy)propyl]urea
CID 108883554

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-tert-butylphenoxy)propyl]-3-(3,5-dichlorophenyl)urea?
The IUPAC name of 1-[3-(4-tert-butylphenoxy)propyl]-3-(3,5-dichlorophenyl)urea (CID 108882902) is 1-[3-(4-tert-butylphenoxy)propyl]-3-(3,5-dichlorophenyl)urea.
What is the SMILES notation for 1-[3-(4-tert-butylphenoxy)propyl]-3-(3,5-dichlorophenyl)urea?
The canonical SMILES for 1-[3-(4-tert-butylphenoxy)propyl]-3-(3,5-dichlorophenyl)urea is CC(C)(C)c1ccc(OCCCNC(=O)Nc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 1-[3-(4-tert-butylphenoxy)propyl]-3-(3,5-dichlorophenyl)urea?
The InChIKey is WCJAIWRXPQJSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O2/c1-20(2,3)14-5-7-18(8-6-14)26-10-4-9-23-19(25)24-17-12-15(21)11-16(22)13-17/h5-8,11-13H,4,9-10H2,1-3H3,(H2,23,24,25).
What are the key properties of 1-[3-(4-tert-butylphenoxy)propyl]-3-(3,5-dichlorophenyl)urea?
1-[3-(4-tert-butylphenoxy)propyl]-3-(3,5-dichlorophenyl)urea has a molecular weight of 395.33 g/mol, XLogP of 5.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-tert-butylphenoxy)propyl]-3-(3,5-dichlorophenyl)urea is sourced from PubChem (CID 108882902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).