4-nitro-N-(4-propan-2-ylphenyl)benzohydrazide

C16H17N3O3 — CID 54315898

IUPAC4-nitro-N-(4-propan-2-ylphenyl)benzohydrazide
SMILESCC(C)c1ccc(N(N)C(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H17N3O3/c1-11(2)12-3-7-14(8-4-12)18(17)16(20)13-5-9-15(10-6-13)19(21)22/h3-11H,17H2,1-2H3
InChIKeySODPWIZZAMUDGK-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.24
Rot. Bonds4

About 4-nitro-N-(4-propan-2-ylphenyl)benzohydrazide

4-nitro-N-(4-propan-2-ylphenyl)benzohydrazide (PubChem CID 54315898) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-nitro-N-(4-propan-2-ylphenyl)benzohydrazide.

Molecular Properties

Compound Name4-nitro-N-(4-propan-2-ylphenyl)benzohydrazide
PubChem CID54315898
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name4-nitro-N-(4-propan-2-ylphenyl)benzohydrazide
SMILESCC(C)c1ccc(N(N)C(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H17N3O3/c1-11(2)12-3-7-14(8-4-12)18(17)16(20)13-5-9-15(10-6-13)19(21)22/h3-11H,17H2,1-2H3
InChIKeySODPWIZZAMUDGK-UHFFFAOYSA-N
XLogP3.24
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-nitro-N-(4-propan-2-ylphenyl)benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-bis[4-(4-aminophenyl)phenyl]-4-nitrobenzamide
CID 141325798
1-nitro-4-propan-2-ylbenzene;propanoic acid
CID 162240103
N,N-bis[(2R)-butan-2-yl]-4-nitrobenzamide
CID 844902
S-[(4-nitrophenyl)methyl] 4-propan-2-ylbenzenecarbothioate
CID 54753420
N-ethyl-4-nitro-N-pentan-3-ylbenzamide
CID 54020030
3-methyl-4-nitro-N-phenylbenzohydrazide
CID 54532028
N-(2-hydroxyethyl)-4-nitro-N-propan-2-ylbenzamide
CID 43573013
N-(1-chloropropan-2-yl)-N-methyl-4-nitrobenzamide
CID 104555660
4-nitro-N-(4-propan-2-ylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide
CID 23880591
N-[(3S)-1,1-dioxothiolan-3-yl]-4-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 7509760
4-(dimethylamino)-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide
CID 40952744
1-nitro-4-propan-2-ylbenzene;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene
CID 178123013

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-(4-propan-2-ylphenyl)benzohydrazide?
The IUPAC name of 4-nitro-N-(4-propan-2-ylphenyl)benzohydrazide (CID 54315898) is 4-nitro-N-(4-propan-2-ylphenyl)benzohydrazide.
What is the SMILES notation for 4-nitro-N-(4-propan-2-ylphenyl)benzohydrazide?
The canonical SMILES for 4-nitro-N-(4-propan-2-ylphenyl)benzohydrazide is CC(C)c1ccc(N(N)C(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 4-nitro-N-(4-propan-2-ylphenyl)benzohydrazide?
The InChIKey is SODPWIZZAMUDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11(2)12-3-7-14(8-4-12)18(17)16(20)13-5-9-15(10-6-13)19(21)22/h3-11H,17H2,1-2H3.
What are the key properties of 4-nitro-N-(4-propan-2-ylphenyl)benzohydrazide?
4-nitro-N-(4-propan-2-ylphenyl)benzohydrazide has a molecular weight of 299.33 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-(4-propan-2-ylphenyl)benzohydrazide is sourced from PubChem (CID 54315898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).