N'-[2-(4-fluorophenyl)acetyl]-3-nitro-4-pyrrolidin-1-ylbenzohydrazide

C19H19FN4O4 — CID 26656905

IUPACN'-[2-(4-fluorophenyl)acetyl]-3-nitro-4-pyrrolidin-1-ylbenzohydrazide
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H19FN4O4/c20-15-6-3-13(4-7-15)11-18(25)21-22-19(26)14-5-8-16(17(12-14)24(27)28)23-9-1-2-10-23/h3-8,12H,1-2,9-11H2,(H,21,25)(H,22,26)
InChIKeyWDODHKUHAIMGOV-UHFFFAOYSA-N
MW386.38 g/mol
LogP2.34
Rot. Bonds5

About N'-[2-(4-fluorophenyl)acetyl]-3-nitro-4-pyrrolidin-1-ylbenzohydrazide

N'-[2-(4-fluorophenyl)acetyl]-3-nitro-4-pyrrolidin-1-ylbenzohydrazide (PubChem CID 26656905) has the molecular formula C19H19FN4O4 and a molecular weight of 386.38 g/mol. Its IUPAC name is N'-[2-(4-fluorophenyl)acetyl]-3-nitro-4-pyrrolidin-1-ylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenyl)acetyl]-3-nitro-4-pyrrolidin-1-ylbenzohydrazide
PubChem CID26656905
Molecular FormulaC19H19FN4O4
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC NameN'-[2-(4-fluorophenyl)acetyl]-3-nitro-4-pyrrolidin-1-ylbenzohydrazide
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H19FN4O4/c20-15-6-3-13(4-7-15)11-18(25)21-22-19(26)14-5-8-16(17(12-14)24(27)28)23-9-1-2-10-23/h3-8,12H,1-2,9-11H2,(H,21,25)(H,22,26)
InChIKeyWDODHKUHAIMGOV-UHFFFAOYSA-N
XLogP2.34
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(4-fluorophenyl)methyl 4-(azepan-1-yl)-3-nitrobenzoate
CID 23797040
[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 4-morpholin-4-yl-3-nitrobenzoate
CID 5092383
N'-(2-hydroxybenzoyl)-3-nitro-4-pyrrolidin-1-ylbenzohydrazide
CID 27694002
N'-[4-(azepan-1-yl)-3-nitrobenzoyl]-2-methylfuran-3-carbohydrazide
CID 9158258
[4-(4-fluorophenyl)piperazin-1-yl]-(3-nitro-4-piperidin-1-ylphenyl)methanone
CID 7494443
2-[2-fluoro-4-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]phenyl]acetic acid
CID 122110139
4-(azepan-1-yl)-N-(4-fluoro-2-methylphenyl)-3-nitrobenzamide
CID 7922163
3-nitro-4-piperidin-1-yl-N-propan-2-ylbenzamide
CID 4806694
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 30878238
3-nitro-N-(2-phenylethyl)-4-pyrrolidin-1-ylbenzamide
CID 8893935
N-(1-hydroxybutan-2-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 110878190
4-(azepan-1-yl)-3-nitro-N-pentan-3-ylbenzamide
CID 7922673

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenyl)acetyl]-3-nitro-4-pyrrolidin-1-ylbenzohydrazide?
The IUPAC name of N'-[2-(4-fluorophenyl)acetyl]-3-nitro-4-pyrrolidin-1-ylbenzohydrazide (CID 26656905) is N'-[2-(4-fluorophenyl)acetyl]-3-nitro-4-pyrrolidin-1-ylbenzohydrazide.
What is the SMILES notation for N'-[2-(4-fluorophenyl)acetyl]-3-nitro-4-pyrrolidin-1-ylbenzohydrazide?
The canonical SMILES for N'-[2-(4-fluorophenyl)acetyl]-3-nitro-4-pyrrolidin-1-ylbenzohydrazide is O=C(Cc1ccc(F)cc1)NNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1.
What is the InChIKey of N'-[2-(4-fluorophenyl)acetyl]-3-nitro-4-pyrrolidin-1-ylbenzohydrazide?
The InChIKey is WDODHKUHAIMGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O4/c20-15-6-3-13(4-7-15)11-18(25)21-22-19(26)14-5-8-16(17(12-14)24(27)28)23-9-1-2-10-23/h3-8,12H,1-2,9-11H2,(H,21,25)(H,22,26).
What are the key properties of N'-[2-(4-fluorophenyl)acetyl]-3-nitro-4-pyrrolidin-1-ylbenzohydrazide?
N'-[2-(4-fluorophenyl)acetyl]-3-nitro-4-pyrrolidin-1-ylbenzohydrazide has a molecular weight of 386.38 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenyl)acetyl]-3-nitro-4-pyrrolidin-1-ylbenzohydrazide is sourced from PubChem (CID 26656905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).