N-[1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-phenylbenzamide

C25H23N3O2 — CID 3425855

IUPACN-[1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-phenylbenzamide
SMILESCC(=NNC(=O)c1ccc(-c2ccccc2)cc1)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C25H23N3O2/c1-17(22-8-5-9-23(16-22)26-24(29)20-14-15-20)27-28-25(30)21-12-10-19(11-13-21)18-6-3-2-4-7-18/h2-13,16,20H,14-15H2,1H3,(H,26,29)(H,28,30)
InChIKeyZWMMQESIDKCYJW-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.86
Rot. Bonds6

About N-[1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-phenylbenzamide

N-[1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-phenylbenzamide (PubChem CID 3425855) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-phenylbenzamide
PubChem CID3425855
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-[1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-phenylbenzamide
SMILESCC(=NNC(=O)c1ccc(-c2ccccc2)cc1)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C25H23N3O2/c1-17(22-8-5-9-23(16-22)26-24(29)20-14-15-20)27-28-25(30)21-12-10-19(11-13-21)18-6-3-2-4-7-18/h2-13,16,20H,14-15H2,1H3,(H,26,29)(H,28,30)
InChIKeyZWMMQESIDKCYJW-UHFFFAOYSA-N
XLogP4.86
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.86
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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Related Compounds

N-[(E)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-phenylbenzamide
CID 7308855
N-[(Z)-1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-fluorobenzamide
CID 6026889
N-[(Z)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-hydroxybenzamide
CID 6178413
N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-methylbenzamide
CID 3653941
N-[1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 3580339
N-[(E)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-nitrobenzamide
CID 40568232
N-[1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 4121616
N-[3-[(Z)-C-methyl-N-[(2-phenylacetyl)amino]carbonimidoyl]phenyl]cyclohexanecarboxamide
CID 6260418
N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-nitrobenzamide
CID 1358532
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-hydroxybenzamide
CID 6217170
4-N-[(E)-1-(3-acetamidophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 17349534
N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-methyl-3-nitrobenzamide
CID 3529234

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-phenylbenzamide?
The IUPAC name of N-[1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-phenylbenzamide (CID 3425855) is N-[1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-phenylbenzamide.
What is the SMILES notation for N-[1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-phenylbenzamide?
The canonical SMILES for N-[1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-phenylbenzamide is CC(=NNC(=O)c1ccc(-c2ccccc2)cc1)c1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-phenylbenzamide?
The InChIKey is ZWMMQESIDKCYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-17(22-8-5-9-23(16-22)26-24(29)20-14-15-20)27-28-25(30)21-12-10-19(11-13-21)18-6-3-2-4-7-18/h2-13,16,20H,14-15H2,1H3,(H,26,29)(H,28,30).
What are the key properties of N-[1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-phenylbenzamide?
N-[1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-phenylbenzamide has a molecular weight of 397.48 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-phenylbenzamide is sourced from PubChem (CID 3425855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).