N-[(Z)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide

C20H18N4O4 — CID 50856366

IUPACN-[(Z)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide
SMILESCc1ccc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])n1-c1ccccc1
InChIInChI=1S/C20H18N4O4/c1-15-11-12-17(23(15)16-7-3-2-4-8-16)13-21-22-20(25)14-28-19-10-6-5-9-18(19)24(26)27/h2-13H,14H2,1H3,(H,22,25)/b21-13-
InChIKeyJFYSPMRVMWTANQ-BKUYFWCQSA-N
MW378.39 g/mol
LogP3.22
Rot. Bonds7

About N-[(Z)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide

N-[(Z)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide (PubChem CID 50856366) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-[(Z)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide
PubChem CID50856366
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC NameN-[(Z)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide
SMILESCc1ccc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])n1-c1ccccc1
InChIInChI=1S/C20H18N4O4/c1-15-11-12-17(23(15)16-7-3-2-4-8-16)13-21-22-20(25)14-28-19-10-6-5-9-18(19)24(26)27/h2-13H,14H2,1H3,(H,22,25)/b21-13-
InChIKeyJFYSPMRVMWTANQ-BKUYFWCQSA-N
XLogP3.22
TPSA98.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-chlorophenoxy)-N-[(Z)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]acetamide
CID 50856410
2-(2-nitrophenoxy)-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 9467219
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7332490
N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 1240252
N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 1040215
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 136757938
N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 41270230
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7027645
2-(2-methylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 966530
N-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 9467225
2-(2-nitrophenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide
CID 7720091
2-(2-ethoxyphenoxy)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 6044087

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-[(Z)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide (CID 50856366) is N-[(Z)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-[(Z)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide is Cc1ccc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])n1-c1ccccc1.
What is the InChIKey of N-[(Z)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide?
The InChIKey is JFYSPMRVMWTANQ-BKUYFWCQSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-15-11-12-17(23(15)16-7-3-2-4-8-16)13-21-22-20(25)14-28-19-10-6-5-9-18(19)24(26)27/h2-13H,14H2,1H3,(H,22,25)/b21-13-.
What are the key properties of N-[(Z)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide?
N-[(Z)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide has a molecular weight of 378.39 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 50856366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).