4-amino-N-[(4-phenylcyclohexylidene)amino]benzamide

C19H21N3O — CID 9070972

IUPAC4-amino-N-[(4-phenylcyclohexylidene)amino]benzamide
SMILESNc1ccc(C(=O)NN=C2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H21N3O/c20-17-10-6-16(7-11-17)19(23)22-21-18-12-8-15(9-13-18)14-4-2-1-3-5-14/h1-7,10-11,15H,8-9,12-13,20H2,(H,22,23)/b21-18-
InChIKeyFFVOYLYAJFPDNK-UZYVYHOESA-N
MW307.40 g/mol
LogP3.71
Rot. Bonds3

About 4-amino-N-[(4-phenylcyclohexylidene)amino]benzamide

4-amino-N-[(4-phenylcyclohexylidene)amino]benzamide (PubChem CID 9070972) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-amino-N-[(4-phenylcyclohexylidene)amino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(4-phenylcyclohexylidene)amino]benzamide
PubChem CID9070972
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name4-amino-N-[(4-phenylcyclohexylidene)amino]benzamide
SMILESNc1ccc(C(=O)NN=C2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H21N3O/c20-17-10-6-16(7-11-17)19(23)22-21-18-12-8-15(9-13-18)14-4-2-1-3-5-14/h1-7,10-11,15H,8-9,12-13,20H2,(H,22,23)/b21-18-
InChIKeyFFVOYLYAJFPDNK-UZYVYHOESA-N
XLogP3.71
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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 4-amino-N-[(4-phenylcyclohexylidene)amino]benzamide?
The IUPAC name of 4-amino-N-[(4-phenylcyclohexylidene)amino]benzamide (CID 9070972) is 4-amino-N-[(4-phenylcyclohexylidene)amino]benzamide.
What is the SMILES notation for 4-amino-N-[(4-phenylcyclohexylidene)amino]benzamide?
The canonical SMILES for 4-amino-N-[(4-phenylcyclohexylidene)amino]benzamide is Nc1ccc(C(=O)NN=C2CCC(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-amino-N-[(4-phenylcyclohexylidene)amino]benzamide?
The InChIKey is FFVOYLYAJFPDNK-UZYVYHOESA-N. The full InChI is InChI=1S/C19H21N3O/c20-17-10-6-16(7-11-17)19(23)22-21-18-12-8-15(9-13-18)14-4-2-1-3-5-14/h1-7,10-11,15H,8-9,12-13,20H2,(H,22,23)/b21-18-.
What are the key properties of 4-amino-N-[(4-phenylcyclohexylidene)amino]benzamide?
4-amino-N-[(4-phenylcyclohexylidene)amino]benzamide has a molecular weight of 307.40 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-phenylcyclohexylidene)amino]benzamide is sourced from PubChem (CID 9070972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).