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

C22H19FN2O — CID 3912518

IUPACN-(1,3-diphenylpropan-2-ylideneamino)-2-fluorobenzamide
SMILESO=C(NN=C(Cc1ccccc1)Cc1ccccc1)c1ccccc1F
InChIInChI=1S/C22H19FN2O/c23-21-14-8-7-13-20(21)22(26)25-24-19(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,25,26)
InChIKeyOKCGYKYWIOXZHJ-UHFFFAOYSA-N
MW346.41 g/mol
LogP4.40
Rot. Bonds6

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

N-(1,3-diphenylpropan-2-ylideneamino)-2-fluorobenzamide (PubChem CID 3912518) has the molecular formula C22H19FN2O and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(1,3-diphenylpropan-2-ylideneamino)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(1,3-diphenylpropan-2-ylideneamino)-2-fluorobenzamide
PubChem CID3912518
Molecular FormulaC22H19FN2O
Molecular Weight346.41 g/mol
Exact Mass346.15
IUPAC NameN-(1,3-diphenylpropan-2-ylideneamino)-2-fluorobenzamide
SMILESO=C(NN=C(Cc1ccccc1)Cc1ccccc1)c1ccccc1F
InChIInChI=1S/C22H19FN2O/c23-21-14-8-7-13-20(21)22(26)25-24-19(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,25,26)
InChIKeyOKCGYKYWIOXZHJ-UHFFFAOYSA-N
XLogP4.40
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-fluorobenzamide?
The IUPAC name of N-(1,3-diphenylpropan-2-ylideneamino)-2-fluorobenzamide (CID 3912518) is N-(1,3-diphenylpropan-2-ylideneamino)-2-fluorobenzamide.
What is the SMILES notation for N-(1,3-diphenylpropan-2-ylideneamino)-2-fluorobenzamide?
The canonical SMILES for N-(1,3-diphenylpropan-2-ylideneamino)-2-fluorobenzamide is O=C(NN=C(Cc1ccccc1)Cc1ccccc1)c1ccccc1F.
What is the InChIKey of N-(1,3-diphenylpropan-2-ylideneamino)-2-fluorobenzamide?
The InChIKey is OKCGYKYWIOXZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O/c23-21-14-8-7-13-20(21)22(26)25-24-19(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,25,26).
What are the key properties of N-(1,3-diphenylpropan-2-ylideneamino)-2-fluorobenzamide?
N-(1,3-diphenylpropan-2-ylideneamino)-2-fluorobenzamide has a molecular weight of 346.41 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylpropan-2-ylideneamino)-2-fluorobenzamide is sourced from PubChem (CID 3912518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).