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

C16H15Cl2NO — CID 3061912

IUPAC4-chloro-2-[C-(2-chlorophenyl)-N-propylcarbonimidoyl]phenol
SMILESCCC/N=C(/c1cc(Cl)ccc1O)c1ccccc1Cl
InChIInChI=1S/C16H15Cl2NO/c1-2-9-19-16(12-5-3-4-6-14(12)18)13-10-11(17)7-8-15(13)20/h3-8,10,20H,2,9H2,1H3/b19-16+
InChIKeyVVTHTRSRAQUTAS-KNTRCKAVSA-N
MW308.21 g/mol
LogP4.95
Rot. Bonds4

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

4-chloro-2-[C-(2-chlorophenyl)-N-propylcarbonimidoyl]phenol (PubChem CID 3061912) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is 4-chloro-2-[C-(2-chlorophenyl)-N-propylcarbonimidoyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[C-(2-chlorophenyl)-N-propylcarbonimidoyl]phenol
PubChem CID3061912
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name4-chloro-2-[C-(2-chlorophenyl)-N-propylcarbonimidoyl]phenol
SMILESCCC/N=C(/c1cc(Cl)ccc1O)c1ccccc1Cl
InChIInChI=1S/C16H15Cl2NO/c1-2-9-19-16(12-5-3-4-6-14(12)18)13-10-11(17)7-8-15(13)20/h3-8,10,20H,2,9H2,1H3/b19-16+
InChIKeyVVTHTRSRAQUTAS-KNTRCKAVSA-N
XLogP4.95
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.95
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-propylcarbonimidoyl]phenol?
The IUPAC name of 4-chloro-2-[C-(2-chlorophenyl)-N-propylcarbonimidoyl]phenol (CID 3061912) is 4-chloro-2-[C-(2-chlorophenyl)-N-propylcarbonimidoyl]phenol.
What is the SMILES notation for 4-chloro-2-[C-(2-chlorophenyl)-N-propylcarbonimidoyl]phenol?
The canonical SMILES for 4-chloro-2-[C-(2-chlorophenyl)-N-propylcarbonimidoyl]phenol is CCC/N=C(/c1cc(Cl)ccc1O)c1ccccc1Cl.
What is the InChIKey of 4-chloro-2-[C-(2-chlorophenyl)-N-propylcarbonimidoyl]phenol?
The InChIKey is VVTHTRSRAQUTAS-KNTRCKAVSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c1-2-9-19-16(12-5-3-4-6-14(12)18)13-10-11(17)7-8-15(13)20/h3-8,10,20H,2,9H2,1H3/b19-16+.
What are the key properties of 4-chloro-2-[C-(2-chlorophenyl)-N-propylcarbonimidoyl]phenol?
4-chloro-2-[C-(2-chlorophenyl)-N-propylcarbonimidoyl]phenol has a molecular weight of 308.21 g/mol, XLogP of 4.95, 4 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-propylcarbonimidoyl]phenol is sourced from PubChem (CID 3061912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).