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

C14H11Cl2NO — CID 3061910

IUPAC4-chloro-2-[C-(2-chlorophenyl)-N-methylcarbonimidoyl]phenol
SMILESC/N=C(/c1cc(Cl)ccc1O)c1ccccc1Cl
InChIInChI=1S/C14H11Cl2NO/c1-17-14(10-4-2-3-5-12(10)16)11-8-9(15)6-7-13(11)18/h2-8,18H,1H3/b17-14+
InChIKeyIQMGFDPORRRUSO-SAPNQHFASA-N
MW280.15 g/mol
LogP4.17
Rot. Bonds2

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

4-chloro-2-[C-(2-chlorophenyl)-N-methylcarbonimidoyl]phenol (PubChem CID 3061910) has the molecular formula C14H11Cl2NO and a molecular weight of 280.15 g/mol. Its IUPAC name is 4-chloro-2-[C-(2-chlorophenyl)-N-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[C-(2-chlorophenyl)-N-methylcarbonimidoyl]phenol
PubChem CID3061910
Molecular FormulaC14H11Cl2NO
Molecular Weight280.15 g/mol
Exact Mass279.02
IUPAC Name4-chloro-2-[C-(2-chlorophenyl)-N-methylcarbonimidoyl]phenol
SMILESC/N=C(/c1cc(Cl)ccc1O)c1ccccc1Cl
InChIInChI=1S/C14H11Cl2NO/c1-17-14(10-4-2-3-5-12(10)16)11-8-9(15)6-7-13(11)18/h2-8,18H,1H3/b17-14+
InChIKeyIQMGFDPORRRUSO-SAPNQHFASA-N
XLogP4.17
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 54.17
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-methylcarbonimidoyl]phenol?
The IUPAC name of 4-chloro-2-[C-(2-chlorophenyl)-N-methylcarbonimidoyl]phenol (CID 3061910) is 4-chloro-2-[C-(2-chlorophenyl)-N-methylcarbonimidoyl]phenol.
What is the SMILES notation for 4-chloro-2-[C-(2-chlorophenyl)-N-methylcarbonimidoyl]phenol?
The canonical SMILES for 4-chloro-2-[C-(2-chlorophenyl)-N-methylcarbonimidoyl]phenol is C/N=C(/c1cc(Cl)ccc1O)c1ccccc1Cl.
What is the InChIKey of 4-chloro-2-[C-(2-chlorophenyl)-N-methylcarbonimidoyl]phenol?
The InChIKey is IQMGFDPORRRUSO-SAPNQHFASA-N. The full InChI is InChI=1S/C14H11Cl2NO/c1-17-14(10-4-2-3-5-12(10)16)11-8-9(15)6-7-13(11)18/h2-8,18H,1H3/b17-14+.
What are the key properties of 4-chloro-2-[C-(2-chlorophenyl)-N-methylcarbonimidoyl]phenol?
4-chloro-2-[C-(2-chlorophenyl)-N-methylcarbonimidoyl]phenol has a molecular weight of 280.15 g/mol, XLogP of 4.17, 2 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-methylcarbonimidoyl]phenol is sourced from PubChem (CID 3061910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).