1-butyl-3-(3-chloro-2-hydroxyphenyl)urea

C11H15ClN2O2 — CID 174595887

IUPAC1-butyl-3-(3-chloro-2-hydroxyphenyl)urea
SMILESCCCCNC(=O)Nc1cccc(Cl)c1O
InChIInChI=1S/C11H15ClN2O2/c1-2-3-7-13-11(16)14-9-6-4-5-8(12)10(9)15/h4-6,15H,2-3,7H2,1H3,(H2,13,14,16)
InChIKeyWMKYRMSXQLOILT-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.97
Rot. Bonds4

About 1-butyl-3-(3-chloro-2-hydroxyphenyl)urea

1-butyl-3-(3-chloro-2-hydroxyphenyl)urea (PubChem CID 174595887) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 1-butyl-3-(3-chloro-2-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-butyl-3-(3-chloro-2-hydroxyphenyl)urea
PubChem CID174595887
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name1-butyl-3-(3-chloro-2-hydroxyphenyl)urea
SMILESCCCCNC(=O)Nc1cccc(Cl)c1O
InChIInChI=1S/C11H15ClN2O2/c1-2-3-7-13-11(16)14-9-6-4-5-8(12)10(9)15/h4-6,15H,2-3,7H2,1H3,(H2,13,14,16)
InChIKeyWMKYRMSXQLOILT-UHFFFAOYSA-N
XLogP2.97
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dichlorophenyl)-3-propylurea
CID 4654956
1-(3-butoxypropyl)-3-(2-chlorophenyl)urea
CID 78793865
N-(3-chloro-2-hydroxyphenyl)propanamide
CID 11206429
1-butyl-3-(3,5-dichloro-4-hydroxyphenyl)urea
CID 82884668
hexyl N-(3-chloro-2-hydroxyphenyl)carbamate
CID 69009032
N-[3-[(2-bromo-3-chlorophenyl)carbamoylamino]propyl]acetamide
CID 99834298
1-butyl-3-(2-methyl-3-pyridinyl)urea
CID 115667861
1-(3-chloro-2-hydroxyphenyl)-3-(cyclohexylmethyl)urea
CID 69012648
4-[(2-chlorophenyl)carbamoylamino]butanoic acid
CID 28511695
1-butyl-3-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea
CID 43210707
2-N-butyl-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109131326
1-butyl-3-(5-chloroquinolin-8-yl)urea
CID 47201926

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(3-chloro-2-hydroxyphenyl)urea?
The IUPAC name of 1-butyl-3-(3-chloro-2-hydroxyphenyl)urea (CID 174595887) is 1-butyl-3-(3-chloro-2-hydroxyphenyl)urea.
What is the SMILES notation for 1-butyl-3-(3-chloro-2-hydroxyphenyl)urea?
The canonical SMILES for 1-butyl-3-(3-chloro-2-hydroxyphenyl)urea is CCCCNC(=O)Nc1cccc(Cl)c1O.
What is the InChIKey of 1-butyl-3-(3-chloro-2-hydroxyphenyl)urea?
The InChIKey is WMKYRMSXQLOILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-2-3-7-13-11(16)14-9-6-4-5-8(12)10(9)15/h4-6,15H,2-3,7H2,1H3,(H2,13,14,16).
What are the key properties of 1-butyl-3-(3-chloro-2-hydroxyphenyl)urea?
1-butyl-3-(3-chloro-2-hydroxyphenyl)urea has a molecular weight of 242.71 g/mol, XLogP of 2.97, 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-chloro-2-hydroxyphenyl)urea is sourced from PubChem (CID 174595887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).