N'-(2-hydroxybenzoyl)-3-nitro-4-pyrrolidin-1-ylbenzohydrazide

C18H18N4O5 — CID 27694002

IUPACN'-(2-hydroxybenzoyl)-3-nitro-4-pyrrolidin-1-ylbenzohydrazide
SMILESO=C(NNC(=O)c1ccccc1O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H18N4O5/c23-16-6-2-1-5-13(16)18(25)20-19-17(24)12-7-8-14(15(11-12)22(26)27)21-9-3-4-10-21/h1-2,5-8,11,23H,3-4,9-10H2,(H,19,24)(H,20,25)
InChIKeyDFAYWFZQYZCCGK-UHFFFAOYSA-N
MW370.37 g/mol
LogP1.98
Rot. Bonds4

About N'-(2-hydroxybenzoyl)-3-nitro-4-pyrrolidin-1-ylbenzohydrazide

N'-(2-hydroxybenzoyl)-3-nitro-4-pyrrolidin-1-ylbenzohydrazide (PubChem CID 27694002) has the molecular formula C18H18N4O5 and a molecular weight of 370.37 g/mol. Its IUPAC name is N'-(2-hydroxybenzoyl)-3-nitro-4-pyrrolidin-1-ylbenzohydrazide.

Molecular Properties

Compound NameN'-(2-hydroxybenzoyl)-3-nitro-4-pyrrolidin-1-ylbenzohydrazide
PubChem CID27694002
Molecular FormulaC18H18N4O5
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC NameN'-(2-hydroxybenzoyl)-3-nitro-4-pyrrolidin-1-ylbenzohydrazide
SMILESO=C(NNC(=O)c1ccccc1O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H18N4O5/c23-16-6-2-1-5-13(16)18(25)20-19-17(24)12-7-8-14(15(11-12)22(26)27)21-9-3-4-10-21/h1-2,5-8,11,23H,3-4,9-10H2,(H,19,24)(H,20,25)
InChIKeyDFAYWFZQYZCCGK-UHFFFAOYSA-N
XLogP1.98
TPSA124.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 51.98
H-Bond Donors ≤ 53
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

4-(azepan-1-yl)-N-(2-carbamoylphenyl)-3-nitrobenzamide
CID 27687727
N'-[4-(azepan-1-yl)-3-nitrobenzoyl]-2-methylfuran-3-carbohydrazide
CID 9158258
N-[2-(methylcarbamoyl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 34752127
N-(4-benzamidophenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 4510251
N'-(2-fluorobenzoyl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzohydrazide
CID 34263633
N'-(2-hydroxybenzoyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carbohydrazide
CID 27693886
3-nitro-N-[4-(phenylcarbamoylamino)phenyl]-4-pyrrolidin-1-ylbenzamide
CID 55527532
3-nitro-4-piperidin-1-yl-N-propan-2-ylbenzamide
CID 4806694
N-methyl-2-[1-(3-nitro-4-piperidin-1-ylphenyl)ethenyl]benzamide
CID 143806198
N'-[2-(4-fluorophenyl)acetyl]-3-nitro-4-pyrrolidin-1-ylbenzohydrazide
CID 26656905
ethyl 2-[[4-(azepan-1-yl)-3-nitrobenzoyl]amino]benzoate
CID 7922521
(3R)-N'-(3-nitro-4-pyrrolidin-1-ylbenzoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 41012984

Frequently Asked Questions

What is the IUPAC name of N'-(2-hydroxybenzoyl)-3-nitro-4-pyrrolidin-1-ylbenzohydrazide?
The IUPAC name of N'-(2-hydroxybenzoyl)-3-nitro-4-pyrrolidin-1-ylbenzohydrazide (CID 27694002) is N'-(2-hydroxybenzoyl)-3-nitro-4-pyrrolidin-1-ylbenzohydrazide.
What is the SMILES notation for N'-(2-hydroxybenzoyl)-3-nitro-4-pyrrolidin-1-ylbenzohydrazide?
The canonical SMILES for N'-(2-hydroxybenzoyl)-3-nitro-4-pyrrolidin-1-ylbenzohydrazide is O=C(NNC(=O)c1ccccc1O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1.
What is the InChIKey of N'-(2-hydroxybenzoyl)-3-nitro-4-pyrrolidin-1-ylbenzohydrazide?
The InChIKey is DFAYWFZQYZCCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5/c23-16-6-2-1-5-13(16)18(25)20-19-17(24)12-7-8-14(15(11-12)22(26)27)21-9-3-4-10-21/h1-2,5-8,11,23H,3-4,9-10H2,(H,19,24)(H,20,25).
What are the key properties of N'-(2-hydroxybenzoyl)-3-nitro-4-pyrrolidin-1-ylbenzohydrazide?
N'-(2-hydroxybenzoyl)-3-nitro-4-pyrrolidin-1-ylbenzohydrazide has a molecular weight of 370.37 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydroxybenzoyl)-3-nitro-4-pyrrolidin-1-ylbenzohydrazide is sourced from PubChem (CID 27694002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).