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

C20H23Cl2NO — CID 3061916

IUPAC4-chloro-2-[C-(2-chlorophenyl)-N-heptylcarbonimidoyl]phenol
SMILESCCCCCCC/N=C(/c1cc(Cl)ccc1O)c1ccccc1Cl
InChIInChI=1S/C20H23Cl2NO/c1-2-3-4-5-8-13-23-20(16-9-6-7-10-18(16)22)17-14-15(21)11-12-19(17)24/h6-7,9-12,14,24H,2-5,8,13H2,1H3/b23-20+
InChIKeyLSFXHYGMWOZWES-BSYVCWPDSA-N
MW364.32 g/mol
LogP6.51
Rot. Bonds8

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

4-chloro-2-[C-(2-chlorophenyl)-N-heptylcarbonimidoyl]phenol (PubChem CID 3061916) has the molecular formula C20H23Cl2NO and a molecular weight of 364.32 g/mol. Its IUPAC name is 4-chloro-2-[C-(2-chlorophenyl)-N-heptylcarbonimidoyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[C-(2-chlorophenyl)-N-heptylcarbonimidoyl]phenol
PubChem CID3061916
Molecular FormulaC20H23Cl2NO
Molecular Weight364.32 g/mol
Exact Mass363.12
IUPAC Name4-chloro-2-[C-(2-chlorophenyl)-N-heptylcarbonimidoyl]phenol
SMILESCCCCCCC/N=C(/c1cc(Cl)ccc1O)c1ccccc1Cl
InChIInChI=1S/C20H23Cl2NO/c1-2-3-4-5-8-13-23-20(16-9-6-7-10-18(16)22)17-14-15(21)11-12-19(17)24/h6-7,9-12,14,24H,2-5,8,13H2,1H3/b23-20+
InChIKeyLSFXHYGMWOZWES-BSYVCWPDSA-N
XLogP6.51
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.32
LogP ≤ 56.51
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-heptylcarbonimidoyl]phenol?
The IUPAC name of 4-chloro-2-[C-(2-chlorophenyl)-N-heptylcarbonimidoyl]phenol (CID 3061916) is 4-chloro-2-[C-(2-chlorophenyl)-N-heptylcarbonimidoyl]phenol.
What is the SMILES notation for 4-chloro-2-[C-(2-chlorophenyl)-N-heptylcarbonimidoyl]phenol?
The canonical SMILES for 4-chloro-2-[C-(2-chlorophenyl)-N-heptylcarbonimidoyl]phenol is CCCCCCC/N=C(/c1cc(Cl)ccc1O)c1ccccc1Cl.
What is the InChIKey of 4-chloro-2-[C-(2-chlorophenyl)-N-heptylcarbonimidoyl]phenol?
The InChIKey is LSFXHYGMWOZWES-BSYVCWPDSA-N. The full InChI is InChI=1S/C20H23Cl2NO/c1-2-3-4-5-8-13-23-20(16-9-6-7-10-18(16)22)17-14-15(21)11-12-19(17)24/h6-7,9-12,14,24H,2-5,8,13H2,1H3/b23-20+.
What are the key properties of 4-chloro-2-[C-(2-chlorophenyl)-N-heptylcarbonimidoyl]phenol?
4-chloro-2-[C-(2-chlorophenyl)-N-heptylcarbonimidoyl]phenol has a molecular weight of 364.32 g/mol, XLogP of 6.51, 8 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-heptylcarbonimidoyl]phenol is sourced from PubChem (CID 3061916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).