4-[(4-fluorophenoxy)methyl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide

C20H19FN4O4 — CID 19283186

IUPAC4-[(4-fluorophenoxy)methyl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide
SMILESCc1cc([N+](=O)[O-])nn1CCNC(=O)c1ccc(COc2ccc(F)cc2)cc1
InChIInChI=1S/C20H19FN4O4/c1-14-12-19(25(27)28)23-24(14)11-10-22-20(26)16-4-2-15(3-5-16)13-29-18-8-6-17(21)7-9-18/h2-9,12H,10-11,13H2,1H3,(H,22,26)
InChIKeyGALUMNXCXYMVKR-UHFFFAOYSA-N
MW398.39 g/mol
LogP3.25
Rot. Bonds8

About 4-[(4-fluorophenoxy)methyl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide

4-[(4-fluorophenoxy)methyl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide (PubChem CID 19283186) has the molecular formula C20H19FN4O4 and a molecular weight of 398.39 g/mol. Its IUPAC name is 4-[(4-fluorophenoxy)methyl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(4-fluorophenoxy)methyl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide
PubChem CID19283186
Molecular FormulaC20H19FN4O4
Molecular Weight398.39 g/mol
Exact Mass398.14
IUPAC Name4-[(4-fluorophenoxy)methyl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide
SMILESCc1cc([N+](=O)[O-])nn1CCNC(=O)c1ccc(COc2ccc(F)cc2)cc1
InChIInChI=1S/C20H19FN4O4/c1-14-12-19(25(27)28)23-24(14)11-10-22-20(26)16-4-2-15(3-5-16)13-29-18-8-6-17(21)7-9-18/h2-9,12H,10-11,13H2,1H3,(H,22,26)
InChIKeyGALUMNXCXYMVKR-UHFFFAOYSA-N
XLogP3.25
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-{3-nitro-5-methyl-1H-pyrazol-1-yl}-1-methylethylidene)-4-methoxybenzohydrazide
CID 9616045
N-(4-methoxybenzyl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
CID 16193082
N'-[(E)-(2-methoxyphenyl)methylidene]-4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzohydrazide
CID 6869326
1-benzyl-3-nitro-N-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 1012307
4-[[3,5-Dimethyl-4-[[4-(phenoxymethyl)benzoyl]amino]pyrazol-1-yl]methyl]benzamide
CID 134328747
3-[[3,5-dimethyl-4-[[4-(phenoxymethyl)benzoyl]amino]pyrazol-1-yl]methyl]-N-ethylbenzamide
CID 134328765
4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-N'-[(E)-(2,4,6-trimethoxyphenyl)methylidene]benzohydrazide
CID 6868443
[2-(2-Fluoroanilino)-2-oxoethyl] 4-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzoate
CID 1342296
1-(2-fluorobenzyl)-N-(4-methoxybenzyl)-3-nitro-1H-pyrazole-5-carboxamide
CID 5304447
[6-Fluoro-4-(methoxyamino)spiro[chromene-2,4'-piperidine]-1'-yl]-[1-fluoro-4-[(1-methyl-5-nitropyrazol-3-yl)methyl]cyclohexyl]methanone
CID 123803560
3-[[4-[[4-[(3-fluorophenoxy)methyl]benzoyl]amino]-3,5-dimethylpyrazol-1-yl]methyl]-N-methylbenzamide
CID 134328780
3-[[4-[[4-[(2-fluorophenoxy)methyl]benzoyl]amino]-3,5-dimethylpyrazol-1-yl]methyl]-N-methylbenzamide
CID 134328788

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenoxy)methyl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide?
The IUPAC name of 4-[(4-fluorophenoxy)methyl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide (CID 19283186) is 4-[(4-fluorophenoxy)methyl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-[(4-fluorophenoxy)methyl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide?
The canonical SMILES for 4-[(4-fluorophenoxy)methyl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide is Cc1cc([N+](=O)[O-])nn1CCNC(=O)c1ccc(COc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[(4-fluorophenoxy)methyl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide?
The InChIKey is GALUMNXCXYMVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O4/c1-14-12-19(25(27)28)23-24(14)11-10-22-20(26)16-4-2-15(3-5-16)13-29-18-8-6-17(21)7-9-18/h2-9,12H,10-11,13H2,1H3,(H,22,26).
What are the key properties of 4-[(4-fluorophenoxy)methyl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide?
4-[(4-fluorophenoxy)methyl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide has a molecular weight of 398.39 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenoxy)methyl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 19283186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).