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

C19H15N5O5 — CID 4244555

IUPAC2-(2-nitrophenyl)-N-[[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])NN=Cc1cccn1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H15N5O5/c25-19(12-14-4-1-2-6-18(14)24(28)29)21-20-13-17-5-3-11-22(17)15-7-9-16(10-8-15)23(26)27/h1-11,13H,12H2,(H,21,25)
InChIKeyNKHIQTADMIAZCT-UHFFFAOYSA-N
MW393.36 g/mol
LogP2.99
Rot. Bonds7

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

2-(2-nitrophenyl)-N-[[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide (PubChem CID 4244555) has the molecular formula C19H15N5O5 and a molecular weight of 393.36 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-N-[[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-nitrophenyl)-N-[[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide
PubChem CID4244555
Molecular FormulaC19H15N5O5
Molecular Weight393.36 g/mol
Exact Mass393.11
IUPAC Name2-(2-nitrophenyl)-N-[[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])NN=Cc1cccn1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H15N5O5/c25-19(12-14-4-1-2-6-18(14)24(28)29)21-20-13-17-5-3-11-22(17)15-7-9-16(10-8-15)23(26)27/h1-11,13H,12H2,(H,21,25)
InChIKeyNKHIQTADMIAZCT-UHFFFAOYSA-N
XLogP2.99
TPSA132.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

N-[[1-(4-methylphenyl)pyrrol-2-yl]methylideneamino]-2-(2-nitrophenyl)acetamide
CID 4019273
N-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-2-(2-nitrophenyl)acetamide
CID 5178741
4-[2-[(Z)-[[2-(3-nitrophenyl)acetyl]hydrazinylidene]methyl]pyrrol-1-yl]benzoate
CID 7340677
2-(3,4-dimethylphenoxy)-N-[[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide
CID 3974279
2-(2-nitrophenyl)-N-[[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 3403586
N-[[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]-2-phenylacetamide
CID 4556577
3-bromo-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]benzamide
CID 5452566
N-[(2-chlorophenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 4291716
N-[(4-methylphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 3663531
3-chloro-N-[[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]-1-benzothiophene-2-carboxamide
CID 1420431
N-[(5-methylthiophen-2-yl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 4519460
2-naphthalen-1-yl-N-[(E)-(1-naphthalen-2-ylpyrrol-2-yl)methylideneamino]acetamide
CID 21374423

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)-N-[[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide?
The IUPAC name of 2-(2-nitrophenyl)-N-[[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide (CID 4244555) is 2-(2-nitrophenyl)-N-[[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-(2-nitrophenyl)-N-[[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide?
The canonical SMILES for 2-(2-nitrophenyl)-N-[[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide is O=C(Cc1ccccc1[N+](=O)[O-])NN=Cc1cccn1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(2-nitrophenyl)-N-[[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide?
The InChIKey is NKHIQTADMIAZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O5/c25-19(12-14-4-1-2-6-18(14)24(28)29)21-20-13-17-5-3-11-22(17)15-7-9-16(10-8-15)23(26)27/h1-11,13H,12H2,(H,21,25).
What are the key properties of 2-(2-nitrophenyl)-N-[[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide?
2-(2-nitrophenyl)-N-[[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide has a molecular weight of 393.36 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)-N-[[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide is sourced from PubChem (CID 4244555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).