N-(1,3-diphenylpropan-2-ylideneamino)-2-hydroxybenzamide

C22H20N2O2 — CID 4145119

IUPACN-(1,3-diphenylpropan-2-ylideneamino)-2-hydroxybenzamide
SMILESO=C(NN=C(Cc1ccccc1)Cc1ccccc1)c1ccccc1O
InChIInChI=1S/C22H20N2O2/c25-21-14-8-7-13-20(21)22(26)24-23-19(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14,25H,15-16H2,(H,24,26)
InChIKeyQFVJHYPEYPPEOO-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.96
Rot. Bonds6

About N-(1,3-diphenylpropan-2-ylideneamino)-2-hydroxybenzamide

N-(1,3-diphenylpropan-2-ylideneamino)-2-hydroxybenzamide (PubChem CID 4145119) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-(1,3-diphenylpropan-2-ylideneamino)-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(1,3-diphenylpropan-2-ylideneamino)-2-hydroxybenzamide
PubChem CID4145119
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC NameN-(1,3-diphenylpropan-2-ylideneamino)-2-hydroxybenzamide
SMILESO=C(NN=C(Cc1ccccc1)Cc1ccccc1)c1ccccc1O
InChIInChI=1S/C22H20N2O2/c25-21-14-8-7-13-20(21)22(26)24-23-19(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14,25H,15-16H2,(H,24,26)
InChIKeyQFVJHYPEYPPEOO-UHFFFAOYSA-N
XLogP3.96
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylpropan-2-ylideneamino)-2-hydroxybenzamide?
The IUPAC name of N-(1,3-diphenylpropan-2-ylideneamino)-2-hydroxybenzamide (CID 4145119) is N-(1,3-diphenylpropan-2-ylideneamino)-2-hydroxybenzamide.
What is the SMILES notation for N-(1,3-diphenylpropan-2-ylideneamino)-2-hydroxybenzamide?
The canonical SMILES for N-(1,3-diphenylpropan-2-ylideneamino)-2-hydroxybenzamide is O=C(NN=C(Cc1ccccc1)Cc1ccccc1)c1ccccc1O.
What is the InChIKey of N-(1,3-diphenylpropan-2-ylideneamino)-2-hydroxybenzamide?
The InChIKey is QFVJHYPEYPPEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c25-21-14-8-7-13-20(21)22(26)24-23-19(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14,25H,15-16H2,(H,24,26).
What are the key properties of N-(1,3-diphenylpropan-2-ylideneamino)-2-hydroxybenzamide?
N-(1,3-diphenylpropan-2-ylideneamino)-2-hydroxybenzamide has a molecular weight of 344.41 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylpropan-2-ylideneamino)-2-hydroxybenzamide is sourced from PubChem (CID 4145119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).