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

C22H27Cl2NO — CID 3061919

IUPAC4-chloro-2-[C-(2-chlorophenyl)-N-nonylcarbonimidoyl]phenol
SMILESCCCCCCCCC/N=C(/c1cc(Cl)ccc1O)c1ccccc1Cl
InChIInChI=1S/C22H27Cl2NO/c1-2-3-4-5-6-7-10-15-25-22(18-11-8-9-12-20(18)24)19-16-17(23)13-14-21(19)26/h8-9,11-14,16,26H,2-7,10,15H2,1H3/b25-22+
InChIKeyQRPULNMDDGVKIH-YYDJUVGSSA-N
MW392.37 g/mol
LogP7.29
Rot. Bonds10

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

4-chloro-2-[C-(2-chlorophenyl)-N-nonylcarbonimidoyl]phenol (PubChem CID 3061919) has the molecular formula C22H27Cl2NO and a molecular weight of 392.37 g/mol. Its IUPAC name is 4-chloro-2-[C-(2-chlorophenyl)-N-nonylcarbonimidoyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[C-(2-chlorophenyl)-N-nonylcarbonimidoyl]phenol
PubChem CID3061919
Molecular FormulaC22H27Cl2NO
Molecular Weight392.37 g/mol
Exact Mass391.15
IUPAC Name4-chloro-2-[C-(2-chlorophenyl)-N-nonylcarbonimidoyl]phenol
SMILESCCCCCCCCC/N=C(/c1cc(Cl)ccc1O)c1ccccc1Cl
InChIInChI=1S/C22H27Cl2NO/c1-2-3-4-5-6-7-10-15-25-22(18-11-8-9-12-20(18)24)19-16-17(23)13-14-21(19)26/h8-9,11-14,16,26H,2-7,10,15H2,1H3/b25-22+
InChIKeyQRPULNMDDGVKIH-YYDJUVGSSA-N
XLogP7.29
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.37
LogP ≤ 57.29
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[C-(2-chlorophenyl)-N-nonylcarbonimidoyl]phenol?
The IUPAC name of 4-chloro-2-[C-(2-chlorophenyl)-N-nonylcarbonimidoyl]phenol (CID 3061919) is 4-chloro-2-[C-(2-chlorophenyl)-N-nonylcarbonimidoyl]phenol.
What is the SMILES notation for 4-chloro-2-[C-(2-chlorophenyl)-N-nonylcarbonimidoyl]phenol?
The canonical SMILES for 4-chloro-2-[C-(2-chlorophenyl)-N-nonylcarbonimidoyl]phenol is CCCCCCCCC/N=C(/c1cc(Cl)ccc1O)c1ccccc1Cl.
What is the InChIKey of 4-chloro-2-[C-(2-chlorophenyl)-N-nonylcarbonimidoyl]phenol?
The InChIKey is QRPULNMDDGVKIH-YYDJUVGSSA-N. The full InChI is InChI=1S/C22H27Cl2NO/c1-2-3-4-5-6-7-10-15-25-22(18-11-8-9-12-20(18)24)19-16-17(23)13-14-21(19)26/h8-9,11-14,16,26H,2-7,10,15H2,1H3/b25-22+.
What are the key properties of 4-chloro-2-[C-(2-chlorophenyl)-N-nonylcarbonimidoyl]phenol?
4-chloro-2-[C-(2-chlorophenyl)-N-nonylcarbonimidoyl]phenol has a molecular weight of 392.37 g/mol, XLogP of 7.29, 10 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-nonylcarbonimidoyl]phenol is sourced from PubChem (CID 3061919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).