1-(3,5-dichlorophenyl)-3-(4-hydroxybutyl)urea

C11H14Cl2N2O2 — CID 107143334

IUPAC1-(3,5-dichlorophenyl)-3-(4-hydroxybutyl)urea
SMILESO=C(NCCCCO)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H14Cl2N2O2/c12-8-5-9(13)7-10(6-8)15-11(17)14-3-1-2-4-16/h5-7,16H,1-4H2,(H2,14,15,17)
InChIKeyBUBZZEGHVNEBQJ-UHFFFAOYSA-N
MW277.15 g/mol
LogP2.89
Rot. Bonds5

About 1-(3,5-dichlorophenyl)-3-(4-hydroxybutyl)urea

1-(3,5-dichlorophenyl)-3-(4-hydroxybutyl)urea (PubChem CID 107143334) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-(4-hydroxybutyl)urea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-(4-hydroxybutyl)urea
PubChem CID107143334
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC Name1-(3,5-dichlorophenyl)-3-(4-hydroxybutyl)urea
SMILESO=C(NCCCCO)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H14Cl2N2O2/c12-8-5-9(13)7-10(6-8)15-11(17)14-3-1-2-4-16/h5-7,16H,1-4H2,(H2,14,15,17)
InChIKeyBUBZZEGHVNEBQJ-UHFFFAOYSA-N
XLogP2.89
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dichlorophenyl)-3-pent-4-ynylurea
CID 103709982
3-[(3,5-dichlorophenyl)carbamoylamino]propanoic acid
CID 28511134
3-[(3,5-dichlorophenyl)carbamoylamino]propanamide
CID 56814254
1-[(4E)-4-amino-4-hydroxyiminobutyl]-3-(3,5-dichlorophenyl)urea
CID 107654487
N-(3,5-dichlorophenyl)-5-hydroxypentanamide
CID 79019042
1-[2-(cyclopropylamino)ethyl]-3-(3,5-dichlorophenyl)urea
CID 107654056
5-(3,5-dichloroanilino)pentan-1-ol
CID 62227515
4-bromo-2-[(3,5-dichlorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide
CID 166747514
1-[3-(4-tert-butylphenoxy)propyl]-3-(3,5-dichlorophenyl)urea
CID 108882902
1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)carbamoylamino]butyl]urea
CID 15270622
N'-(3,5-dichlorophenyl)-N-pentyloxamide
CID 4625739
1-[[(3,5-dichlorophenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312361

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-(4-hydroxybutyl)urea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-(4-hydroxybutyl)urea (CID 107143334) is 1-(3,5-dichlorophenyl)-3-(4-hydroxybutyl)urea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-(4-hydroxybutyl)urea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-(4-hydroxybutyl)urea is O=C(NCCCCO)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-(4-hydroxybutyl)urea?
The InChIKey is BUBZZEGHVNEBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c12-8-5-9(13)7-10(6-8)15-11(17)14-3-1-2-4-16/h5-7,16H,1-4H2,(H2,14,15,17).
What are the key properties of 1-(3,5-dichlorophenyl)-3-(4-hydroxybutyl)urea?
1-(3,5-dichlorophenyl)-3-(4-hydroxybutyl)urea has a molecular weight of 277.15 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-(4-hydroxybutyl)urea is sourced from PubChem (CID 107143334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).