1-(2-butoxyphenyl)-3-(3,4-dichlorophenyl)urea

C17H18Cl2N2O2 — CID 19187559

IUPAC1-(2-butoxyphenyl)-3-(3,4-dichlorophenyl)urea
SMILESCCCCOc1ccccc1NC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H18Cl2N2O2/c1-2-3-10-23-16-7-5-4-6-15(16)21-17(22)20-12-8-9-13(18)14(19)11-12/h4-9,11H,2-3,10H2,1H3,(H2,20,21,22)
InChIKeyXLPNQWLIGQNIAR-UHFFFAOYSA-N
MW353.25 g/mol
LogP5.82
Rot. Bonds6

About 1-(2-butoxyphenyl)-3-(3,4-dichlorophenyl)urea

1-(2-butoxyphenyl)-3-(3,4-dichlorophenyl)urea (PubChem CID 19187559) has the molecular formula C17H18Cl2N2O2 and a molecular weight of 353.25 g/mol. Its IUPAC name is 1-(2-butoxyphenyl)-3-(3,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(2-butoxyphenyl)-3-(3,4-dichlorophenyl)urea
PubChem CID19187559
Molecular FormulaC17H18Cl2N2O2
Molecular Weight353.25 g/mol
Exact Mass352.07
IUPAC Name1-(2-butoxyphenyl)-3-(3,4-dichlorophenyl)urea
SMILESCCCCOc1ccccc1NC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H18Cl2N2O2/c1-2-3-10-23-16-7-5-4-6-15(16)21-17(22)20-12-8-9-13(18)14(19)11-12/h4-9,11H,2-3,10H2,1H3,(H2,20,21,22)
InChIKeyXLPNQWLIGQNIAR-UHFFFAOYSA-N
XLogP5.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.25
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-butoxyphenyl)-3-(3,4-dichlorophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-butoxyanilino)-N-(3,4-dichlorophenyl)acetamide
CID 54828034
1,3-bis(2-butoxyphenyl)urea
CID 17170447
1-(2-butoxyphenyl)-3-phenylurea
CID 17087022
1-(3,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 769282
N-(2-butoxyphenyl)propanamide
CID 15943029
2-N-(3,4-dichlorophenyl)-1-N-(2-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143497
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317
2-(2-butoxyanilino)-N-(4-chlorophenyl)acetamide
CID 54827839
1-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-3-(2-ethoxyphenyl)urea
CID 50824816
4-butoxy-3,5-dichloro-N-(3,4-dichlorophenyl)benzamide
CID 18848325
1-(3,4-dichlorophenyl)-3-[3-(2-methoxyethoxy)phenyl]urea
CID 55910965

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyphenyl)-3-(3,4-dichlorophenyl)urea?
The IUPAC name of 1-(2-butoxyphenyl)-3-(3,4-dichlorophenyl)urea (CID 19187559) is 1-(2-butoxyphenyl)-3-(3,4-dichlorophenyl)urea.
What is the SMILES notation for 1-(2-butoxyphenyl)-3-(3,4-dichlorophenyl)urea?
The canonical SMILES for 1-(2-butoxyphenyl)-3-(3,4-dichlorophenyl)urea is CCCCOc1ccccc1NC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(2-butoxyphenyl)-3-(3,4-dichlorophenyl)urea?
The InChIKey is XLPNQWLIGQNIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2/c1-2-3-10-23-16-7-5-4-6-15(16)21-17(22)20-12-8-9-13(18)14(19)11-12/h4-9,11H,2-3,10H2,1H3,(H2,20,21,22).
What are the key properties of 1-(2-butoxyphenyl)-3-(3,4-dichlorophenyl)urea?
1-(2-butoxyphenyl)-3-(3,4-dichlorophenyl)urea has a molecular weight of 353.25 g/mol, XLogP of 5.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyphenyl)-3-(3,4-dichlorophenyl)urea is sourced from PubChem (CID 19187559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).