N-(4-methylphenyl)-N-[N-(4-nitrophenyl)-C-phenylcarbonimidoyl]acetamide

C22H19N3O3 — CID 4863275

IUPACN-(4-methylphenyl)-N-[N-(4-nitrophenyl)-C-phenylcarbonimidoyl]acetamide
SMILESCC(=O)N(/C(=N/c1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C22H19N3O3/c1-16-8-12-20(13-9-16)24(17(2)26)22(18-6-4-3-5-7-18)23-19-10-14-21(15-11-19)25(27)28/h3-15H,1-2H3/b23-22+
InChIKeyKFZHIXXLYBICFQ-GHVJWSGMSA-N
MW373.41 g/mol
LogP5.03
Rot. Bonds4

About N-(4-methylphenyl)-N-[N-(4-nitrophenyl)-C-phenylcarbonimidoyl]acetamide

N-(4-methylphenyl)-N-[N-(4-nitrophenyl)-C-phenylcarbonimidoyl]acetamide (PubChem CID 4863275) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-[N-(4-nitrophenyl)-C-phenylcarbonimidoyl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-[N-(4-nitrophenyl)-C-phenylcarbonimidoyl]acetamide
PubChem CID4863275
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN-(4-methylphenyl)-N-[N-(4-nitrophenyl)-C-phenylcarbonimidoyl]acetamide
SMILESCC(=O)N(/C(=N/c1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C22H19N3O3/c1-16-8-12-20(13-9-16)24(17(2)26)22(18-6-4-3-5-7-18)23-19-10-14-21(15-11-19)25(27)28/h3-15H,1-2H3/b23-22+
InChIKeyKFZHIXXLYBICFQ-GHVJWSGMSA-N
XLogP5.03
TPSA75.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.41
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-N-[C-(4-methylphenyl)-N-phenylcarbonimidoyl]-4-nitrobenzamide
CID 4779222
1-(4-methylphenyl)-2-(4-nitrophenyl)-3-phenylguanidine
CID 136768349
diphenylmethanone;1-methyl-4-nitrobenzene
CID 160968328
N'-(4-methylphenyl)-N-[4-(4-nitrophenyl)sulfonylphenyl]benzenecarboximidamide;hydrochloride
CID 163339519
N-(2,4-dinitrophenyl)sulfanyl-N-(4-methoxyphenyl)-N'-(4-methylphenyl)benzenecarboximidamide
CID 4653810
2-chloro-N,N'-bis(4-methylphenyl)-N-(4-nitrophenyl)sulfonylbenzenecarboximidamide
CID 4585726
N-[C-methyl-N-(4-methylphenyl)carbonimidoyl]-N-(4-methylphenyl)acetamide
CID 4779367
N,N'-bis(4-methylphenyl)-N-(4-nitrophenyl)sulfonylnaphthalene-1-carboximidamide
CID 4863246
2-(4-methylphenyl)-3-(4-nitrophenyl)-1,4-diphenylbutane-1,4-dione
CID 122386072
acetic acid;(4-nitrophenyl)-phenylmethanone
CID 162340702
4-methylbenzenesulfonic acid;(4-nitrophenyl)-phenyldiazene
CID 174911853
1-methyl-4-nitrobenzene;hydrofluoride
CID 174946488

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-[N-(4-nitrophenyl)-C-phenylcarbonimidoyl]acetamide?
The IUPAC name of N-(4-methylphenyl)-N-[N-(4-nitrophenyl)-C-phenylcarbonimidoyl]acetamide (CID 4863275) is N-(4-methylphenyl)-N-[N-(4-nitrophenyl)-C-phenylcarbonimidoyl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-N-[N-(4-nitrophenyl)-C-phenylcarbonimidoyl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-N-[N-(4-nitrophenyl)-C-phenylcarbonimidoyl]acetamide is CC(=O)N(/C(=N/c1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-[N-(4-nitrophenyl)-C-phenylcarbonimidoyl]acetamide?
The InChIKey is KFZHIXXLYBICFQ-GHVJWSGMSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-16-8-12-20(13-9-16)24(17(2)26)22(18-6-4-3-5-7-18)23-19-10-14-21(15-11-19)25(27)28/h3-15H,1-2H3/b23-22+.
What are the key properties of N-(4-methylphenyl)-N-[N-(4-nitrophenyl)-C-phenylcarbonimidoyl]acetamide?
N-(4-methylphenyl)-N-[N-(4-nitrophenyl)-C-phenylcarbonimidoyl]acetamide has a molecular weight of 373.41 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-[N-(4-nitrophenyl)-C-phenylcarbonimidoyl]acetamide is sourced from PubChem (CID 4863275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).