4-chloro-N'-(3-morpholin-4-ylpropanoyl)-3-nitrobenzohydrazide

C14H17ClN4O5 — CID 4091829

IUPAC4-chloro-N'-(3-morpholin-4-ylpropanoyl)-3-nitrobenzohydrazide
SMILESO=C(CCN1CCOCC1)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C14H17ClN4O5/c15-11-2-1-10(9-12(11)19(22)23)14(21)17-16-13(20)3-4-18-5-7-24-8-6-18/h1-2,9H,3-8H2,(H,16,20)(H,17,21)
InChIKeyYXMZFSXZEXJSHB-UHFFFAOYSA-N
MW356.77 g/mol
LogP0.73
Rot. Bonds5

About 4-chloro-N'-(3-morpholin-4-ylpropanoyl)-3-nitrobenzohydrazide

4-chloro-N'-(3-morpholin-4-ylpropanoyl)-3-nitrobenzohydrazide (PubChem CID 4091829) has the molecular formula C14H17ClN4O5 and a molecular weight of 356.77 g/mol. Its IUPAC name is 4-chloro-N'-(3-morpholin-4-ylpropanoyl)-3-nitrobenzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-(3-morpholin-4-ylpropanoyl)-3-nitrobenzohydrazide
PubChem CID4091829
Molecular FormulaC14H17ClN4O5
Molecular Weight356.77 g/mol
Exact Mass356.09
IUPAC Name4-chloro-N'-(3-morpholin-4-ylpropanoyl)-3-nitrobenzohydrazide
SMILESO=C(CCN1CCOCC1)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C14H17ClN4O5/c15-11-2-1-10(9-12(11)19(22)23)14(21)17-16-13(20)3-4-18-5-7-24-8-6-18/h1-2,9H,3-8H2,(H,16,20)(H,17,21)
InChIKeyYXMZFSXZEXJSHB-UHFFFAOYSA-N
XLogP0.73
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.77
LogP ≤ 50.73
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-(3-morpholin-4-ylpropanoyl)-3-nitrobenzohydrazide?
The IUPAC name of 4-chloro-N'-(3-morpholin-4-ylpropanoyl)-3-nitrobenzohydrazide (CID 4091829) is 4-chloro-N'-(3-morpholin-4-ylpropanoyl)-3-nitrobenzohydrazide.
What is the SMILES notation for 4-chloro-N'-(3-morpholin-4-ylpropanoyl)-3-nitrobenzohydrazide?
The canonical SMILES for 4-chloro-N'-(3-morpholin-4-ylpropanoyl)-3-nitrobenzohydrazide is O=C(CCN1CCOCC1)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-N'-(3-morpholin-4-ylpropanoyl)-3-nitrobenzohydrazide?
The InChIKey is YXMZFSXZEXJSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O5/c15-11-2-1-10(9-12(11)19(22)23)14(21)17-16-13(20)3-4-18-5-7-24-8-6-18/h1-2,9H,3-8H2,(H,16,20)(H,17,21).
What are the key properties of 4-chloro-N'-(3-morpholin-4-ylpropanoyl)-3-nitrobenzohydrazide?
4-chloro-N'-(3-morpholin-4-ylpropanoyl)-3-nitrobenzohydrazide has a molecular weight of 356.77 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-(3-morpholin-4-ylpropanoyl)-3-nitrobenzohydrazide is sourced from PubChem (CID 4091829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).