4-chloro-2-[C-(2-chlorophenyl)-N-(3-methylbutyl)carbonimidoyl]phenol

C18H19Cl2NO — CID 3061915

IUPAC4-chloro-2-[C-(2-chlorophenyl)-N-(3-methylbutyl)carbonimidoyl]phenol
SMILESCC(C)CC/N=C(/c1cc(Cl)ccc1O)c1ccccc1Cl
InChIInChI=1S/C18H19Cl2NO/c1-12(2)9-10-21-18(14-5-3-4-6-16(14)20)15-11-13(19)7-8-17(15)22/h3-8,11-12,22H,9-10H2,1-2H3/b21-18+
InChIKeyQRXIWTBXZQIDHG-DYTRJAOYSA-N
MW336.26 g/mol
LogP5.58
Rot. Bonds5

About 4-chloro-2-[C-(2-chlorophenyl)-N-(3-methylbutyl)carbonimidoyl]phenol

4-chloro-2-[C-(2-chlorophenyl)-N-(3-methylbutyl)carbonimidoyl]phenol (PubChem CID 3061915) has the molecular formula C18H19Cl2NO and a molecular weight of 336.26 g/mol. Its IUPAC name is 4-chloro-2-[C-(2-chlorophenyl)-N-(3-methylbutyl)carbonimidoyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[C-(2-chlorophenyl)-N-(3-methylbutyl)carbonimidoyl]phenol
PubChem CID3061915
Molecular FormulaC18H19Cl2NO
Molecular Weight336.26 g/mol
Exact Mass335.08
IUPAC Name4-chloro-2-[C-(2-chlorophenyl)-N-(3-methylbutyl)carbonimidoyl]phenol
SMILESCC(C)CC/N=C(/c1cc(Cl)ccc1O)c1ccccc1Cl
InChIInChI=1S/C18H19Cl2NO/c1-12(2)9-10-21-18(14-5-3-4-6-16(14)20)15-11-13(19)7-8-17(15)22/h3-8,11-12,22H,9-10H2,1-2H3/b21-18+
InChIKeyQRXIWTBXZQIDHG-DYTRJAOYSA-N
XLogP5.58
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.26
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-chloro-2-[C-(2-chlorophenyl)-N-(3-methylbutyl)carbonimidoyl]phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[C-(2-chlorophenyl)-N-(3-methylbutyl)carbonimidoyl]phenol?
The IUPAC name of 4-chloro-2-[C-(2-chlorophenyl)-N-(3-methylbutyl)carbonimidoyl]phenol (CID 3061915) is 4-chloro-2-[C-(2-chlorophenyl)-N-(3-methylbutyl)carbonimidoyl]phenol.
What is the SMILES notation for 4-chloro-2-[C-(2-chlorophenyl)-N-(3-methylbutyl)carbonimidoyl]phenol?
The canonical SMILES for 4-chloro-2-[C-(2-chlorophenyl)-N-(3-methylbutyl)carbonimidoyl]phenol is CC(C)CC/N=C(/c1cc(Cl)ccc1O)c1ccccc1Cl.
What is the InChIKey of 4-chloro-2-[C-(2-chlorophenyl)-N-(3-methylbutyl)carbonimidoyl]phenol?
The InChIKey is QRXIWTBXZQIDHG-DYTRJAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO/c1-12(2)9-10-21-18(14-5-3-4-6-16(14)20)15-11-13(19)7-8-17(15)22/h3-8,11-12,22H,9-10H2,1-2H3/b21-18+.
What are the key properties of 4-chloro-2-[C-(2-chlorophenyl)-N-(3-methylbutyl)carbonimidoyl]phenol?
4-chloro-2-[C-(2-chlorophenyl)-N-(3-methylbutyl)carbonimidoyl]phenol has a molecular weight of 336.26 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[C-(2-chlorophenyl)-N-(3-methylbutyl)carbonimidoyl]phenol is sourced from PubChem (CID 3061915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).