2,2-diphenyl-N-propan-2-ylethanimidoyl chloride

C17H18ClN — CID 10683566

IUPAC2,2-diphenyl-N-propan-2-ylethanimidoyl chloride
SMILESCC(C)/N=C(\Cl)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18ClN/c1-13(2)19-17(18)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16H,1-2H3/b19-17-
InChIKeyBOWZVLCAJXXYIJ-ZPHPHTNESA-N
MW271.79 g/mol
LogP4.86
Rot. Bonds4

About 2,2-diphenyl-N-propan-2-ylethanimidoyl chloride

2,2-diphenyl-N-propan-2-ylethanimidoyl chloride (PubChem CID 10683566) has the molecular formula C17H18ClN and a molecular weight of 271.79 g/mol. Its IUPAC name is 2,2-diphenyl-N-propan-2-ylethanimidoyl chloride.

Molecular Properties

Compound Name2,2-diphenyl-N-propan-2-ylethanimidoyl chloride
PubChem CID10683566
Molecular FormulaC17H18ClN
Molecular Weight271.79 g/mol
Exact Mass271.11
IUPAC Name2,2-diphenyl-N-propan-2-ylethanimidoyl chloride
SMILESCC(C)/N=C(\Cl)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18ClN/c1-13(2)19-17(18)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16H,1-2H3/b19-17-
InChIKeyBOWZVLCAJXXYIJ-ZPHPHTNESA-N
XLogP4.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,2-diphenyl-N-propan-2-ylethanimidoyl chloride?
The IUPAC name of 2,2-diphenyl-N-propan-2-ylethanimidoyl chloride (CID 10683566) is 2,2-diphenyl-N-propan-2-ylethanimidoyl chloride.
What is the SMILES notation for 2,2-diphenyl-N-propan-2-ylethanimidoyl chloride?
The canonical SMILES for 2,2-diphenyl-N-propan-2-ylethanimidoyl chloride is CC(C)/N=C(\Cl)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-N-propan-2-ylethanimidoyl chloride?
The InChIKey is BOWZVLCAJXXYIJ-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H18ClN/c1-13(2)19-17(18)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16H,1-2H3/b19-17-.
What are the key properties of 2,2-diphenyl-N-propan-2-ylethanimidoyl chloride?
2,2-diphenyl-N-propan-2-ylethanimidoyl chloride has a molecular weight of 271.79 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-N-propan-2-ylethanimidoyl chloride is sourced from PubChem (CID 10683566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).