N'-(3-methylbutanoyl)-3-nitrobenzohydrazide

C12H15N3O4 — CID 9333812

IUPACN'-(3-methylbutanoyl)-3-nitrobenzohydrazide
SMILESCC(C)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H15N3O4/c1-8(2)6-11(16)13-14-12(17)9-4-3-5-10(7-9)15(18)19/h3-5,7-8H,6H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyLDZNBXKFAWBVPC-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.40
Rot. Bonds4

About N'-(3-methylbutanoyl)-3-nitrobenzohydrazide

N'-(3-methylbutanoyl)-3-nitrobenzohydrazide (PubChem CID 9333812) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is N'-(3-methylbutanoyl)-3-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-(3-methylbutanoyl)-3-nitrobenzohydrazide
PubChem CID9333812
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC NameN'-(3-methylbutanoyl)-3-nitrobenzohydrazide
SMILESCC(C)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H15N3O4/c1-8(2)6-11(16)13-14-12(17)9-4-3-5-10(7-9)15(18)19/h3-5,7-8H,6H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyLDZNBXKFAWBVPC-UHFFFAOYSA-N
XLogP1.40
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methoxyacetyl)-3-nitrobenzohydrazide
CID 17386589
N'-(3,3-diphenylpropanoyl)-3-nitrobenzohydrazide
CID 4023612
N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]-3-nitrobenzamide
CID 3346897
N'-(2-bromopropanoyl)-3-nitrobenzohydrazide
CID 3797916
3-nitro-N'-tetradecanoylbenzohydrazide
CID 54791907
[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]urea
CID 18168702
4-methyl-N'-(3-methylbutanoyl)-3-nitrobenzohydrazide
CID 46653048
N'-(4-methylbenzoyl)-3-nitrobenzohydrazide
CID 4506110
3-[(3-methylbutanoylamino)carbamoyl]benzamide
CID 30828709
N'-(3-ethoxypropanoyl)-3-nitrobenzohydrazide
CID 17357857
N-(1-hydroxypropan-2-yl)-3-nitrobenzamide
CID 18712222
3-methyl-N-(3-nitrophenyl)butanamide
CID 4312967

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylbutanoyl)-3-nitrobenzohydrazide?
The IUPAC name of N'-(3-methylbutanoyl)-3-nitrobenzohydrazide (CID 9333812) is N'-(3-methylbutanoyl)-3-nitrobenzohydrazide.
What is the SMILES notation for N'-(3-methylbutanoyl)-3-nitrobenzohydrazide?
The canonical SMILES for N'-(3-methylbutanoyl)-3-nitrobenzohydrazide is CC(C)CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N'-(3-methylbutanoyl)-3-nitrobenzohydrazide?
The InChIKey is LDZNBXKFAWBVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-8(2)6-11(16)13-14-12(17)9-4-3-5-10(7-9)15(18)19/h3-5,7-8H,6H2,1-2H3,(H,13,16)(H,14,17).
What are the key properties of N'-(3-methylbutanoyl)-3-nitrobenzohydrazide?
N'-(3-methylbutanoyl)-3-nitrobenzohydrazide has a molecular weight of 265.27 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylbutanoyl)-3-nitrobenzohydrazide is sourced from PubChem (CID 9333812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).