3-nitro-N'-tetradecanoylbenzohydrazide

C21H33N3O4 — CID 54791907

IUPAC3-nitro-N'-tetradecanoylbenzohydrazide
SMILESCCCCCCCCCCCCCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C21H33N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-20(25)22-23-21(26)18-14-13-15-19(17-18)24(27)28/h13-15,17H,2-12,16H2,1H3,(H,22,25)(H,23,26)
InChIKeyOOWQCFLAWKGXHP-UHFFFAOYSA-N
MW391.51 g/mol
LogP5.06
Rot. Bonds14

About 3-nitro-N'-tetradecanoylbenzohydrazide

3-nitro-N'-tetradecanoylbenzohydrazide (PubChem CID 54791907) has the molecular formula C21H33N3O4 and a molecular weight of 391.51 g/mol. Its IUPAC name is 3-nitro-N'-tetradecanoylbenzohydrazide.

Molecular Properties

Compound Name3-nitro-N'-tetradecanoylbenzohydrazide
PubChem CID54791907
Molecular FormulaC21H33N3O4
Molecular Weight391.51 g/mol
Exact Mass391.25
IUPAC Name3-nitro-N'-tetradecanoylbenzohydrazide
SMILESCCCCCCCCCCCCCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C21H33N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-20(25)22-23-21(26)18-14-13-15-19(17-18)24(27)28/h13-15,17H,2-12,16H2,1H3,(H,22,25)(H,23,26)
InChIKeyOOWQCFLAWKGXHP-UHFFFAOYSA-N
XLogP5.06
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.51
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

1-N',3-N'-di(dodecanoyl)benzene-1,3-dicarbohydrazide
CID 3092349
N-[4-[[(3-nitrobenzoyl)amino]carbamoyl]phenyl]pentanamide
CID 4926283
N'-(3-ethoxypropanoyl)-3-nitrobenzohydrazide
CID 17357857
3-methyl-N'-octanoylbenzohydrazide
CID 2218282
N'-[5-(4-bromophenyl)pentanoyl]-3-nitrobenzohydrazide
CID 55752300
1-(3-nitrophenyl)hexan-1-one
CID 12026868
N'-(2-methoxyacetyl)-3-nitrobenzohydrazide
CID 17386589
2-hexoxy-N'-(3-nitrobenzoyl)benzohydrazide
CID 4942335
N'-octanoylbenzohydrazide
CID 4227469
N'-heptanoylbenzohydrazide
CID 4218130
N'-nonanoylbenzohydrazide
CID 5163159
N'-(3-methylbutanoyl)-3-nitrobenzohydrazide
CID 9333812

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N'-tetradecanoylbenzohydrazide?
The IUPAC name of 3-nitro-N'-tetradecanoylbenzohydrazide (CID 54791907) is 3-nitro-N'-tetradecanoylbenzohydrazide.
What is the SMILES notation for 3-nitro-N'-tetradecanoylbenzohydrazide?
The canonical SMILES for 3-nitro-N'-tetradecanoylbenzohydrazide is CCCCCCCCCCCCCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-N'-tetradecanoylbenzohydrazide?
The InChIKey is OOWQCFLAWKGXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-20(25)22-23-21(26)18-14-13-15-19(17-18)24(27)28/h13-15,17H,2-12,16H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 3-nitro-N'-tetradecanoylbenzohydrazide?
3-nitro-N'-tetradecanoylbenzohydrazide has a molecular weight of 391.51 g/mol, XLogP of 5.06, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N'-tetradecanoylbenzohydrazide is sourced from PubChem (CID 54791907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).