N-[4-[(Z)-N'-anilino-N-phenyliminocarbamimidoyl]phenyl]acetamide

C21H19N5O — CID 6373583

IUPACN-[4-[(Z)-N'-anilino-N-phenyliminocarbamimidoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=N/Nc2ccccc2)/N=N/c2ccccc2)cc1
InChIInChI=1S/C21H19N5O/c1-16(27)22-18-14-12-17(13-15-18)21(25-23-19-8-4-2-5-9-19)26-24-20-10-6-3-7-11-20/h2-15,23H,1H3,(H,22,27)/b25-21-,26-24+
InChIKeyCQWZKVXGGZVBCO-LXGJOWSGSA-N
MW357.42 g/mol
LogP5.20
Rot. Bonds5

About N-[4-[(Z)-N'-anilino-N-phenyliminocarbamimidoyl]phenyl]acetamide

N-[4-[(Z)-N'-anilino-N-phenyliminocarbamimidoyl]phenyl]acetamide (PubChem CID 6373583) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-[4-[(Z)-N'-anilino-N-phenyliminocarbamimidoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(Z)-N'-anilino-N-phenyliminocarbamimidoyl]phenyl]acetamide
PubChem CID6373583
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-[4-[(Z)-N'-anilino-N-phenyliminocarbamimidoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=N/Nc2ccccc2)/N=N/c2ccccc2)cc1
InChIInChI=1S/C21H19N5O/c1-16(27)22-18-14-12-17(13-15-18)21(25-23-19-8-4-2-5-9-19)26-24-20-10-6-3-7-11-20/h2-15,23H,1H3,(H,22,27)/b25-21-,26-24+
InChIKeyCQWZKVXGGZVBCO-LXGJOWSGSA-N
XLogP5.20
TPSA78.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.42
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(N'-anilino-N-phenyliminocarbamimidoyl)phenyl] acetate
CID 3841289
N'-anilino-4-iodo-N-phenyliminobenzenecarboximidamide
CID 171377884
N'-anilino-N-phenyliminopyridine-4-carboximidamide
CID 91732185
N'-anilino-3,4-dimethoxy-N-phenyliminobenzenecarboximidamide
CID 6520538
N'-anilino-N-[4-(2-phenylethenyl)phenyl]iminobenzenecarboximidamide
CID 53413479
N-[4-(4-phenyldiazenylphenyl)phenyl]acetamide
CID 2749691
N-[4-(N-anilino-C-methylcarbonimidoyl)phenyl]benzamide
CID 3561745
bis(N'-anilino-N-phenyliminocarbamimidothioate);mercury(2+)
CID 5489934
cobalt;N-phenylacetamide
CID 158689050
ethane;N-phenyl-4-phenyldiazenylbenzamide
CID 159586308
(Z)-4-hydroxy-N,4-bis(4-methylphenyl)-2-oxo-3-phenyldiazenylbut-3-enamide
CID 135429771
nitrous acid;N-phenylacetamide
CID 174797407

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-N'-anilino-N-phenyliminocarbamimidoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(Z)-N'-anilino-N-phenyliminocarbamimidoyl]phenyl]acetamide (CID 6373583) is N-[4-[(Z)-N'-anilino-N-phenyliminocarbamimidoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(Z)-N'-anilino-N-phenyliminocarbamimidoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(Z)-N'-anilino-N-phenyliminocarbamimidoyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=N/Nc2ccccc2)/N=N/c2ccccc2)cc1.
What is the InChIKey of N-[4-[(Z)-N'-anilino-N-phenyliminocarbamimidoyl]phenyl]acetamide?
The InChIKey is CQWZKVXGGZVBCO-LXGJOWSGSA-N. The full InChI is InChI=1S/C21H19N5O/c1-16(27)22-18-14-12-17(13-15-18)21(25-23-19-8-4-2-5-9-19)26-24-20-10-6-3-7-11-20/h2-15,23H,1H3,(H,22,27)/b25-21-,26-24+.
What are the key properties of N-[4-[(Z)-N'-anilino-N-phenyliminocarbamimidoyl]phenyl]acetamide?
N-[4-[(Z)-N'-anilino-N-phenyliminocarbamimidoyl]phenyl]acetamide has a molecular weight of 357.42 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-N'-anilino-N-phenyliminocarbamimidoyl]phenyl]acetamide is sourced from PubChem (CID 6373583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).