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

C22H20N2O — CID 5109505

IUPACN-(1,3-diphenylpropan-2-ylideneamino)benzamide
SMILESO=C(NN=C(Cc1ccccc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H20N2O/c25-22(20-14-8-3-9-15-20)24-23-21(16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-15H,16-17H2,(H,24,25)
InChIKeyZMNOFVDNVWWZKW-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.26
Rot. Bonds6

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

N-(1,3-diphenylpropan-2-ylideneamino)benzamide (PubChem CID 5109505) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(1,3-diphenylpropan-2-ylideneamino)benzamide.

Molecular Properties

Compound NameN-(1,3-diphenylpropan-2-ylideneamino)benzamide
PubChem CID5109505
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC NameN-(1,3-diphenylpropan-2-ylideneamino)benzamide
SMILESO=C(NN=C(Cc1ccccc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H20N2O/c25-22(20-14-8-3-9-15-20)24-23-21(16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-15H,16-17H2,(H,24,25)
InChIKeyZMNOFVDNVWWZKW-UHFFFAOYSA-N
XLogP4.26
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.26
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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Related Compounds

N-(pentan-3-ylideneamino)benzamide
CID 4611553
4-hydroxy-N-[(E)-1-phenylpropan-2-ylideneamino]benzamide
CID 6019614
4-fluoro-N-(1-phenylpropan-2-ylideneamino)benzamide
CID 847534
4-chloro-N-(1-phenylpropan-2-ylideneamino)benzamide
CID 3643342
N-(diaminomethylideneamino)benzamide;hydrochloride
CID 156587607
N-[[1-(4-fluorophenyl)-2-pyridin-4-ylethylidene]amino]benzamide
CID 91385749
N-[(E)-1-chloropropan-2-ylideneamino]benzamide
CID 5380278
N-[(E)-[1-(furan-2-yl)-2-methylpropylidene]amino]benzamide
CID 134884255
N-(heptan-4-ylideneamino)-4-phenylbenzamide
CID 5067120
N-[1-(4-ethylphenyl)ethylideneamino]benzamide
CID 5085468
N-[(E)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5396908
2-phenyl-N-(1-phenylpropylideneamino)acetamide
CID 689855

Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylpropan-2-ylideneamino)benzamide?
The IUPAC name of N-(1,3-diphenylpropan-2-ylideneamino)benzamide (CID 5109505) is N-(1,3-diphenylpropan-2-ylideneamino)benzamide.
What is the SMILES notation for N-(1,3-diphenylpropan-2-ylideneamino)benzamide?
The canonical SMILES for N-(1,3-diphenylpropan-2-ylideneamino)benzamide is O=C(NN=C(Cc1ccccc1)Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-(1,3-diphenylpropan-2-ylideneamino)benzamide?
The InChIKey is ZMNOFVDNVWWZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c25-22(20-14-8-3-9-15-20)24-23-21(16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-15H,16-17H2,(H,24,25).
What are the key properties of N-(1,3-diphenylpropan-2-ylideneamino)benzamide?
N-(1,3-diphenylpropan-2-ylideneamino)benzamide has a molecular weight of 328.42 g/mol, XLogP of 4.26, 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)benzamide is sourced from PubChem (CID 5109505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).