4-chloro-2-[C-(2-chlorophenyl)-N-(2,4-dimethylpentan-3-yl)carbonimidoyl]phenol

C20H23Cl2NO — CID 3061917

IUPAC4-chloro-2-[C-(2-chlorophenyl)-N-(2,4-dimethylpentan-3-yl)carbonimidoyl]phenol
SMILESCC(C)C(/N=C(/c1cc(Cl)ccc1O)c1ccccc1Cl)C(C)C
InChIInChI=1S/C20H23Cl2NO/c1-12(2)19(13(3)4)23-20(15-7-5-6-8-17(15)22)16-11-14(21)9-10-18(16)24/h5-13,19,24H,1-4H3/b23-20+
InChIKeyIHOXFJHFSYJPRR-BSYVCWPDSA-N
MW364.32 g/mol
LogP6.22
Rot. Bonds5

About 4-chloro-2-[C-(2-chlorophenyl)-N-(2,4-dimethylpentan-3-yl)carbonimidoyl]phenol

4-chloro-2-[C-(2-chlorophenyl)-N-(2,4-dimethylpentan-3-yl)carbonimidoyl]phenol (PubChem CID 3061917) 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-(2,4-dimethylpentan-3-yl)carbonimidoyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[C-(2-chlorophenyl)-N-(2,4-dimethylpentan-3-yl)carbonimidoyl]phenol
PubChem CID3061917
Molecular FormulaC20H23Cl2NO
Molecular Weight364.32 g/mol
Exact Mass363.12
IUPAC Name4-chloro-2-[C-(2-chlorophenyl)-N-(2,4-dimethylpentan-3-yl)carbonimidoyl]phenol
SMILESCC(C)C(/N=C(/c1cc(Cl)ccc1O)c1ccccc1Cl)C(C)C
InChIInChI=1S/C20H23Cl2NO/c1-12(2)19(13(3)4)23-20(15-7-5-6-8-17(15)22)16-11-14(21)9-10-18(16)24/h5-13,19,24H,1-4H3/b23-20+
InChIKeyIHOXFJHFSYJPRR-BSYVCWPDSA-N
XLogP6.22
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.32
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-(2,4-dimethylpentan-3-yl)carbonimidoyl]phenol?
The IUPAC name of 4-chloro-2-[C-(2-chlorophenyl)-N-(2,4-dimethylpentan-3-yl)carbonimidoyl]phenol (CID 3061917) is 4-chloro-2-[C-(2-chlorophenyl)-N-(2,4-dimethylpentan-3-yl)carbonimidoyl]phenol.
What is the SMILES notation for 4-chloro-2-[C-(2-chlorophenyl)-N-(2,4-dimethylpentan-3-yl)carbonimidoyl]phenol?
The canonical SMILES for 4-chloro-2-[C-(2-chlorophenyl)-N-(2,4-dimethylpentan-3-yl)carbonimidoyl]phenol is CC(C)C(/N=C(/c1cc(Cl)ccc1O)c1ccccc1Cl)C(C)C.
What is the InChIKey of 4-chloro-2-[C-(2-chlorophenyl)-N-(2,4-dimethylpentan-3-yl)carbonimidoyl]phenol?
The InChIKey is IHOXFJHFSYJPRR-BSYVCWPDSA-N. The full InChI is InChI=1S/C20H23Cl2NO/c1-12(2)19(13(3)4)23-20(15-7-5-6-8-17(15)22)16-11-14(21)9-10-18(16)24/h5-13,19,24H,1-4H3/b23-20+.
What are the key properties of 4-chloro-2-[C-(2-chlorophenyl)-N-(2,4-dimethylpentan-3-yl)carbonimidoyl]phenol?
4-chloro-2-[C-(2-chlorophenyl)-N-(2,4-dimethylpentan-3-yl)carbonimidoyl]phenol has a molecular weight of 364.32 g/mol, XLogP of 6.22, 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-(2,4-dimethylpentan-3-yl)carbonimidoyl]phenol is sourced from PubChem (CID 3061917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).