N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide

C22H20N2O2 — CID 5496134

IUPACN-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
SMILESCOc1ccc(/C(C)=N\NC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H20N2O2/c1-16(17-12-14-21(26-2)15-13-17)23-24-22(25)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-15H,1-2H3,(H,24,25)/b23-16-
InChIKeyIKPWJKFTFVJGRL-KQWNVCNZSA-N
MW344.41 g/mol
LogP4.52
Rot. Bonds5

About N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide

N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide (PubChem CID 5496134) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
PubChem CID5496134
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC NameN-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
SMILESCOc1ccc(/C(C)=N\NC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H20N2O2/c1-16(17-12-14-21(26-2)15-13-17)23-24-22(25)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-15H,1-2H3,(H,24,25)/b23-16-
InChIKeyIKPWJKFTFVJGRL-KQWNVCNZSA-N
XLogP4.52
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
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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Related Compounds

4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 3289478
N-[1-(4-methoxyphenyl)propylideneamino]-4-phenylbenzamide
CID 5000617
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 124908769
4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 6062256
N-[(Z)-1-(4-phenoxyphenyl)ethylideneamino]benzamide
CID 5418111
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide
CID 5412321
3,4,5-trimethoxy-N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6005452
N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]-4-methoxybenzamide
CID 9359242
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-4-methoxybenzamide
CID 9359355
3-methoxy-N-(1-phenylethylideneamino)benzamide
CID 955694
4-methoxy-N-[1-[6-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]benzamide
CID 155923428
N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide
CID 4100154

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide?
The IUPAC name of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide (CID 5496134) is N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide.
What is the SMILES notation for N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide?
The canonical SMILES for N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide is COc1ccc(/C(C)=N\NC(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide?
The InChIKey is IKPWJKFTFVJGRL-KQWNVCNZSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-16(17-12-14-21(26-2)15-13-17)23-24-22(25)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-15H,1-2H3,(H,24,25)/b23-16-.
What are the key properties of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide?
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide has a molecular weight of 344.41 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide is sourced from PubChem (CID 5496134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).