N-(4-anilino-4-phenylcyclohexa-2,5-dien-1-ylidene)acetamide

C20H18N2O — CID 10470181

IUPACN-(4-anilino-4-phenylcyclohexa-2,5-dien-1-ylidene)acetamide
SMILESCC(=O)N=C1C=CC(Nc2ccccc2)(c2ccccc2)C=C1
InChIInChI=1S/C20H18N2O/c1-16(23)21-18-12-14-20(15-13-18,17-8-4-2-5-9-17)22-19-10-6-3-7-11-19/h2-15,22H,1H3/b21-18-
InChIKeyNCRNRLIJSUCOME-UZYVYHOESA-N
MW302.38 g/mol
LogP4.11
Rot. Bonds3

About N-(4-anilino-4-phenylcyclohexa-2,5-dien-1-ylidene)acetamide

N-(4-anilino-4-phenylcyclohexa-2,5-dien-1-ylidene)acetamide (PubChem CID 10470181) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-(4-anilino-4-phenylcyclohexa-2,5-dien-1-ylidene)acetamide.

Molecular Properties

Compound NameN-(4-anilino-4-phenylcyclohexa-2,5-dien-1-ylidene)acetamide
PubChem CID10470181
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC NameN-(4-anilino-4-phenylcyclohexa-2,5-dien-1-ylidene)acetamide
SMILESCC(=O)N=C1C=CC(Nc2ccccc2)(c2ccccc2)C=C1
InChIInChI=1S/C20H18N2O/c1-16(23)21-18-12-14-20(15-13-18,17-8-4-2-5-9-17)22-19-10-6-3-7-11-19/h2-15,22H,1H3/b21-18-
InChIKeyNCRNRLIJSUCOME-UZYVYHOESA-N
XLogP4.11
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(triphenyl-λ5-phosphanylidene)cyclohexa-2,5-dien-1-ylidene]acetamide
CID 126419240
1-acetyl-4-anilinopiperidine-4-carboxylic acid
CID 114239013
cobalt;N-phenylacetamide
CID 158689050
nitrous acid;N-phenylacetamide
CID 174797407
N-hydroxy-4-[(1-phenylcyclopropyl)amino]benzamide
CID 134492107
N-(4-hydroxyphenyl)acetamide;N-phenylacetamide
CID 174809741
N-(2-anilino-1,3-dioxoinden-2-yl)acetamide
CID 91678904
1-(4-tert-butylphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215100
acetic acid;N-methoxyaniline
CID 174899473
acetyl bromide;N-phenylacetamide
CID 175285562
3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 110470652
2,5-dimethyl-N-phenylpyrrole-2-carboxamide
CID 175090602

Frequently Asked Questions

What is the IUPAC name of N-(4-anilino-4-phenylcyclohexa-2,5-dien-1-ylidene)acetamide?
The IUPAC name of N-(4-anilino-4-phenylcyclohexa-2,5-dien-1-ylidene)acetamide (CID 10470181) is N-(4-anilino-4-phenylcyclohexa-2,5-dien-1-ylidene)acetamide.
What is the SMILES notation for N-(4-anilino-4-phenylcyclohexa-2,5-dien-1-ylidene)acetamide?
The canonical SMILES for N-(4-anilino-4-phenylcyclohexa-2,5-dien-1-ylidene)acetamide is CC(=O)N=C1C=CC(Nc2ccccc2)(c2ccccc2)C=C1.
What is the InChIKey of N-(4-anilino-4-phenylcyclohexa-2,5-dien-1-ylidene)acetamide?
The InChIKey is NCRNRLIJSUCOME-UZYVYHOESA-N. The full InChI is InChI=1S/C20H18N2O/c1-16(23)21-18-12-14-20(15-13-18,17-8-4-2-5-9-17)22-19-10-6-3-7-11-19/h2-15,22H,1H3/b21-18-.
What are the key properties of N-(4-anilino-4-phenylcyclohexa-2,5-dien-1-ylidene)acetamide?
N-(4-anilino-4-phenylcyclohexa-2,5-dien-1-ylidene)acetamide has a molecular weight of 302.38 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilino-4-phenylcyclohexa-2,5-dien-1-ylidene)acetamide is sourced from PubChem (CID 10470181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).