methyl N-phenyl-4-[4-(phenylcarbamoyl)phenyl]benzenecarboximidate

C27H22N2O2 — CID 122577817

IUPACmethyl N-phenyl-4-[4-(phenylcarbamoyl)phenyl]benzenecarboximidate
SMILESCO/C(=N\c1ccccc1)c1ccc(-c2ccc(C(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C27H22N2O2/c1-31-27(29-25-10-6-3-7-11-25)23-18-14-21(15-19-23)20-12-16-22(17-13-20)26(30)28-24-8-4-2-5-9-24/h2-19H,1H3,(H,28,30)/b29-27-
InChIKeyPDDVPUYQSMJGFU-OHYPFYFLSA-N
MW406.49 g/mol
LogP6.33
Rot. Bonds5

About methyl N-phenyl-4-[4-(phenylcarbamoyl)phenyl]benzenecarboximidate

methyl N-phenyl-4-[4-(phenylcarbamoyl)phenyl]benzenecarboximidate (PubChem CID 122577817) has the molecular formula C27H22N2O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is methyl N-phenyl-4-[4-(phenylcarbamoyl)phenyl]benzenecarboximidate.

Molecular Properties

Compound Namemethyl N-phenyl-4-[4-(phenylcarbamoyl)phenyl]benzenecarboximidate
PubChem CID122577817
Molecular FormulaC27H22N2O2
Molecular Weight406.49 g/mol
Exact Mass406.17
IUPAC Namemethyl N-phenyl-4-[4-(phenylcarbamoyl)phenyl]benzenecarboximidate
SMILESCO/C(=N\c1ccccc1)c1ccc(-c2ccc(C(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C27H22N2O2/c1-31-27(29-25-10-6-3-7-11-25)23-18-14-21(15-19-23)20-12-16-22(17-13-20)26(30)28-24-8-4-2-5-9-24/h2-19H,1H3,(H,28,30)/b29-27-
InChIKeyPDDVPUYQSMJGFU-OHYPFYFLSA-N
XLogP6.33
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze methyl N-phenyl-4-[4-(phenylcarbamoyl)phenyl]benzenecarboximidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;N-phenyl-4-phenyldiazenylbenzamide
CID 159586308
1-N,4-N-bis[4-(N-methyl-N'-phenylcarbamimidoyl)phenyl]benzene-1,4-dicarboxamide
CID 135408645
N-(4-anilinophenyl)-4-phenylbenzamide
CID 3363408
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
4-[(2-methoxyacetyl)amino]-N-phenylbenzamide
CID 138999243
N-phenyl-4-[(E)-3-[4-(phenylcarbamoyl)phenyl]but-2-en-2-yl]benzamide
CID 118602038
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
CID 26522657
4-[4-(aminomethyl)phenyl]-N-phenylbenzamide
CID 91665672
4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide
CID 143832330
N-(4-bromophenyl)-4-phenylbenzamide
CID 1081912
4-(2-methoxyethoxy)-N-phenylbenzamide
CID 15943269

Frequently Asked Questions

What is the IUPAC name of methyl N-phenyl-4-[4-(phenylcarbamoyl)phenyl]benzenecarboximidate?
The IUPAC name of methyl N-phenyl-4-[4-(phenylcarbamoyl)phenyl]benzenecarboximidate (CID 122577817) is methyl N-phenyl-4-[4-(phenylcarbamoyl)phenyl]benzenecarboximidate.
What is the SMILES notation for methyl N-phenyl-4-[4-(phenylcarbamoyl)phenyl]benzenecarboximidate?
The canonical SMILES for methyl N-phenyl-4-[4-(phenylcarbamoyl)phenyl]benzenecarboximidate is CO/C(=N\c1ccccc1)c1ccc(-c2ccc(C(=O)Nc3ccccc3)cc2)cc1.
What is the InChIKey of methyl N-phenyl-4-[4-(phenylcarbamoyl)phenyl]benzenecarboximidate?
The InChIKey is PDDVPUYQSMJGFU-OHYPFYFLSA-N. The full InChI is InChI=1S/C27H22N2O2/c1-31-27(29-25-10-6-3-7-11-25)23-18-14-21(15-19-23)20-12-16-22(17-13-20)26(30)28-24-8-4-2-5-9-24/h2-19H,1H3,(H,28,30)/b29-27-.
What are the key properties of methyl N-phenyl-4-[4-(phenylcarbamoyl)phenyl]benzenecarboximidate?
methyl N-phenyl-4-[4-(phenylcarbamoyl)phenyl]benzenecarboximidate has a molecular weight of 406.49 g/mol, XLogP of 6.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-phenyl-4-[4-(phenylcarbamoyl)phenyl]benzenecarboximidate is sourced from PubChem (CID 122577817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).