4-chloro-2-[C-(2-chlorophenyl)-N-pentylcarbonimidoyl]phenol

C18H19Cl2NO — CID 3061913

IUPAC4-chloro-2-[C-(2-chlorophenyl)-N-pentylcarbonimidoyl]phenol
SMILESCCCCC/N=C(/c1cc(Cl)ccc1O)c1ccccc1Cl
InChIInChI=1S/C18H19Cl2NO/c1-2-3-6-11-21-18(14-7-4-5-8-16(14)20)15-12-13(19)9-10-17(15)22/h4-5,7-10,12,22H,2-3,6,11H2,1H3/b21-18+
InChIKeyHLBHNQTVPLFPGR-DYTRJAOYSA-N
MW336.26 g/mol
LogP5.73
Rot. Bonds6

About 4-chloro-2-[C-(2-chlorophenyl)-N-pentylcarbonimidoyl]phenol

4-chloro-2-[C-(2-chlorophenyl)-N-pentylcarbonimidoyl]phenol (PubChem CID 3061913) 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-pentylcarbonimidoyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[C-(2-chlorophenyl)-N-pentylcarbonimidoyl]phenol
PubChem CID3061913
Molecular FormulaC18H19Cl2NO
Molecular Weight336.26 g/mol
Exact Mass335.08
IUPAC Name4-chloro-2-[C-(2-chlorophenyl)-N-pentylcarbonimidoyl]phenol
SMILESCCCCC/N=C(/c1cc(Cl)ccc1O)c1ccccc1Cl
InChIInChI=1S/C18H19Cl2NO/c1-2-3-6-11-21-18(14-7-4-5-8-16(14)20)15-12-13(19)9-10-17(15)22/h4-5,7-10,12,22H,2-3,6,11H2,1H3/b21-18+
InChIKeyHLBHNQTVPLFPGR-DYTRJAOYSA-N
XLogP5.73
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.26
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-2-[C-(2-chlorophenyl)-N-pentylcarbonimidoyl]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-pentylcarbonimidoyl]phenol?
The IUPAC name of 4-chloro-2-[C-(2-chlorophenyl)-N-pentylcarbonimidoyl]phenol (CID 3061913) is 4-chloro-2-[C-(2-chlorophenyl)-N-pentylcarbonimidoyl]phenol.
What is the SMILES notation for 4-chloro-2-[C-(2-chlorophenyl)-N-pentylcarbonimidoyl]phenol?
The canonical SMILES for 4-chloro-2-[C-(2-chlorophenyl)-N-pentylcarbonimidoyl]phenol is CCCCC/N=C(/c1cc(Cl)ccc1O)c1ccccc1Cl.
What is the InChIKey of 4-chloro-2-[C-(2-chlorophenyl)-N-pentylcarbonimidoyl]phenol?
The InChIKey is HLBHNQTVPLFPGR-DYTRJAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO/c1-2-3-6-11-21-18(14-7-4-5-8-16(14)20)15-12-13(19)9-10-17(15)22/h4-5,7-10,12,22H,2-3,6,11H2,1H3/b21-18+.
What are the key properties of 4-chloro-2-[C-(2-chlorophenyl)-N-pentylcarbonimidoyl]phenol?
4-chloro-2-[C-(2-chlorophenyl)-N-pentylcarbonimidoyl]phenol has a molecular weight of 336.26 g/mol, XLogP of 5.73, 6 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-pentylcarbonimidoyl]phenol is sourced from PubChem (CID 3061913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).