1-butyl-3-(3,5-dichloro-4-hydroxyphenyl)urea

C11H14Cl2N2O2 — CID 82884668

IUPAC1-butyl-3-(3,5-dichloro-4-hydroxyphenyl)urea
SMILESCCCCNC(=O)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O2/c1-2-3-4-14-11(17)15-7-5-8(12)10(16)9(13)6-7/h5-6,16H,2-4H2,1H3,(H2,14,15,17)
InChIKeySQTNRLIYVJNRHN-UHFFFAOYSA-N
MW277.15 g/mol
LogP3.62
Rot. Bonds4

About 1-butyl-3-(3,5-dichloro-4-hydroxyphenyl)urea

1-butyl-3-(3,5-dichloro-4-hydroxyphenyl)urea (PubChem CID 82884668) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 1-butyl-3-(3,5-dichloro-4-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-butyl-3-(3,5-dichloro-4-hydroxyphenyl)urea
PubChem CID82884668
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC Name1-butyl-3-(3,5-dichloro-4-hydroxyphenyl)urea
SMILESCCCCNC(=O)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O2/c1-2-3-4-14-11(17)15-7-5-8(12)10(16)9(13)6-7/h5-6,16H,2-4H2,1H3,(H2,14,15,17)
InChIKeySQTNRLIYVJNRHN-UHFFFAOYSA-N
XLogP3.62
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-[3-chloro-4-hydroxy-5-(1-hydroxyethyl)phenyl]urea
CID 174580390
ethyl 3-[(3,5-dichloro-4-hydroxyphenyl)carbamoylamino]propanoate
CID 69010613
1-butyl-3-(3,5-dimethoxyphenyl)urea
CID 47103671
1-butyl-3-(3-chloro-2-hydroxyphenyl)urea
CID 174595887
1-butyl-3-(2-chloro-4,6-difluorophenyl)urea
CID 115871717
3-(butylcarbamoylamino)-4-chloro-N-methylbenzamide
CID 47223827
1-(3,5-dichloro-4-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 113457028
1-butyl-3-(3,4,5-trimethoxyphenyl)urea
CID 47103391
1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)carbamoylamino]butyl]urea
CID 15270622
1-(3,4-dichlorophenyl)-3-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]urea
CID 4159166
1-(4-chlorophenyl)-3-undecylurea
CID 3711116
2-chloro-4-(hexylcarbamoylamino)-N-methylbenzamide
CID 60543564

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(3,5-dichloro-4-hydroxyphenyl)urea?
The IUPAC name of 1-butyl-3-(3,5-dichloro-4-hydroxyphenyl)urea (CID 82884668) is 1-butyl-3-(3,5-dichloro-4-hydroxyphenyl)urea.
What is the SMILES notation for 1-butyl-3-(3,5-dichloro-4-hydroxyphenyl)urea?
The canonical SMILES for 1-butyl-3-(3,5-dichloro-4-hydroxyphenyl)urea is CCCCNC(=O)Nc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 1-butyl-3-(3,5-dichloro-4-hydroxyphenyl)urea?
The InChIKey is SQTNRLIYVJNRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c1-2-3-4-14-11(17)15-7-5-8(12)10(16)9(13)6-7/h5-6,16H,2-4H2,1H3,(H2,14,15,17).
What are the key properties of 1-butyl-3-(3,5-dichloro-4-hydroxyphenyl)urea?
1-butyl-3-(3,5-dichloro-4-hydroxyphenyl)urea has a molecular weight of 277.15 g/mol, XLogP of 3.62, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(3,5-dichloro-4-hydroxyphenyl)urea is sourced from PubChem (CID 82884668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).