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

C15H13Cl2NO — CID 3061911

IUPAC4-chloro-2-[C-(2-chlorophenyl)-N-ethylcarbonimidoyl]phenol
SMILESCC/N=C(/c1cc(Cl)ccc1O)c1ccccc1Cl
InChIInChI=1S/C15H13Cl2NO/c1-2-18-15(11-5-3-4-6-13(11)17)12-9-10(16)7-8-14(12)19/h3-9,19H,2H2,1H3/b18-15+
InChIKeyGADDDQQHVSMAOC-OBGWFSINSA-N
MW294.18 g/mol
LogP4.56
Rot. Bonds3

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

4-chloro-2-[C-(2-chlorophenyl)-N-ethylcarbonimidoyl]phenol (PubChem CID 3061911) has the molecular formula C15H13Cl2NO and a molecular weight of 294.18 g/mol. Its IUPAC name is 4-chloro-2-[C-(2-chlorophenyl)-N-ethylcarbonimidoyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[C-(2-chlorophenyl)-N-ethylcarbonimidoyl]phenol
PubChem CID3061911
Molecular FormulaC15H13Cl2NO
Molecular Weight294.18 g/mol
Exact Mass293.04
IUPAC Name4-chloro-2-[C-(2-chlorophenyl)-N-ethylcarbonimidoyl]phenol
SMILESCC/N=C(/c1cc(Cl)ccc1O)c1ccccc1Cl
InChIInChI=1S/C15H13Cl2NO/c1-2-18-15(11-5-3-4-6-13(11)17)12-9-10(16)7-8-14(12)19/h3-9,19H,2H2,1H3/b18-15+
InChIKeyGADDDQQHVSMAOC-OBGWFSINSA-N
XLogP4.56
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 54.56
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-ethylcarbonimidoyl]phenol?
The IUPAC name of 4-chloro-2-[C-(2-chlorophenyl)-N-ethylcarbonimidoyl]phenol (CID 3061911) is 4-chloro-2-[C-(2-chlorophenyl)-N-ethylcarbonimidoyl]phenol.
What is the SMILES notation for 4-chloro-2-[C-(2-chlorophenyl)-N-ethylcarbonimidoyl]phenol?
The canonical SMILES for 4-chloro-2-[C-(2-chlorophenyl)-N-ethylcarbonimidoyl]phenol is CC/N=C(/c1cc(Cl)ccc1O)c1ccccc1Cl.
What is the InChIKey of 4-chloro-2-[C-(2-chlorophenyl)-N-ethylcarbonimidoyl]phenol?
The InChIKey is GADDDQQHVSMAOC-OBGWFSINSA-N. The full InChI is InChI=1S/C15H13Cl2NO/c1-2-18-15(11-5-3-4-6-13(11)17)12-9-10(16)7-8-14(12)19/h3-9,19H,2H2,1H3/b18-15+.
What are the key properties of 4-chloro-2-[C-(2-chlorophenyl)-N-ethylcarbonimidoyl]phenol?
4-chloro-2-[C-(2-chlorophenyl)-N-ethylcarbonimidoyl]phenol has a molecular weight of 294.18 g/mol, XLogP of 4.56, 3 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-ethylcarbonimidoyl]phenol is sourced from PubChem (CID 3061911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).