N-[[1-(4-methylphenyl)pyrrol-2-yl]methylideneamino]-2-(2-nitrophenyl)acetamide

C20H18N4O3 — CID 4019273

IUPACN-[[1-(4-methylphenyl)pyrrol-2-yl]methylideneamino]-2-(2-nitrophenyl)acetamide
SMILESCc1ccc(-n2cccc2C=NNC(=O)Cc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C20H18N4O3/c1-15-8-10-17(11-9-15)23-12-4-6-18(23)14-21-22-20(25)13-16-5-2-3-7-19(16)24(26)27/h2-12,14H,13H2,1H3,(H,22,25)
InChIKeyCHZCOXXPZSNNGU-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.39
Rot. Bonds6

About N-[[1-(4-methylphenyl)pyrrol-2-yl]methylideneamino]-2-(2-nitrophenyl)acetamide

N-[[1-(4-methylphenyl)pyrrol-2-yl]methylideneamino]-2-(2-nitrophenyl)acetamide (PubChem CID 4019273) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[[1-(4-methylphenyl)pyrrol-2-yl]methylideneamino]-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[[1-(4-methylphenyl)pyrrol-2-yl]methylideneamino]-2-(2-nitrophenyl)acetamide
PubChem CID4019273
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-[[1-(4-methylphenyl)pyrrol-2-yl]methylideneamino]-2-(2-nitrophenyl)acetamide
SMILESCc1ccc(-n2cccc2C=NNC(=O)Cc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C20H18N4O3/c1-15-8-10-17(11-9-15)23-12-4-6-18(23)14-21-22-20(25)13-16-5-2-3-7-19(16)24(26)27/h2-12,14H,13H2,1H3,(H,22,25)
InChIKeyCHZCOXXPZSNNGU-UHFFFAOYSA-N
XLogP3.39
TPSA89.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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

2-(2-nitrophenyl)-N-[[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide
CID 4244555
N-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-2-(2-nitrophenyl)acetamide
CID 5178741
N-[(4-methylphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 3663531
N-[(5-methylthiophen-2-yl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 4519460
N-[[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]-2-phenylacetamide
CID 4556577
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 3929054
4-[2-[(Z)-[[2-(3-nitrophenyl)acetyl]hydrazinylidene]methyl]pyrrol-1-yl]benzoate
CID 7340677
N-[(2-chlorophenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 4291716
4-methyl-N-[3-methyl-1-[(2Z)-2-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 6071882
2-(3,4-dimethylphenoxy)-N-[[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide
CID 3974279
2-naphthalen-1-yl-N-[(E)-(1-naphthalen-2-ylpyrrol-2-yl)methylideneamino]acetamide
CID 21374423
N-(anthracen-9-ylmethylideneamino)-2-(2-nitrophenyl)acetamide
CID 3262459

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylphenyl)pyrrol-2-yl]methylideneamino]-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-[[1-(4-methylphenyl)pyrrol-2-yl]methylideneamino]-2-(2-nitrophenyl)acetamide (CID 4019273) is N-[[1-(4-methylphenyl)pyrrol-2-yl]methylideneamino]-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-[[1-(4-methylphenyl)pyrrol-2-yl]methylideneamino]-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-[[1-(4-methylphenyl)pyrrol-2-yl]methylideneamino]-2-(2-nitrophenyl)acetamide is Cc1ccc(-n2cccc2C=NNC(=O)Cc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-[[1-(4-methylphenyl)pyrrol-2-yl]methylideneamino]-2-(2-nitrophenyl)acetamide?
The InChIKey is CHZCOXXPZSNNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-15-8-10-17(11-9-15)23-12-4-6-18(23)14-21-22-20(25)13-16-5-2-3-7-19(16)24(26)27/h2-12,14H,13H2,1H3,(H,22,25).
What are the key properties of N-[[1-(4-methylphenyl)pyrrol-2-yl]methylideneamino]-2-(2-nitrophenyl)acetamide?
N-[[1-(4-methylphenyl)pyrrol-2-yl]methylideneamino]-2-(2-nitrophenyl)acetamide has a molecular weight of 362.39 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylphenyl)pyrrol-2-yl]methylideneamino]-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 4019273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).