4-methoxy-N'-methyl-3-nitro-N'-phenylbenzohydrazide

C15H15N3O4 — CID 17432301

IUPAC4-methoxy-N'-methyl-3-nitro-N'-phenylbenzohydrazide
SMILESCOc1ccc(C(=O)NN(C)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O4/c1-17(12-6-4-3-5-7-12)16-15(19)11-8-9-14(22-2)13(10-11)18(20)21/h3-10H,1-2H3,(H,16,19)
InChIKeyRGHRENHILWGRKV-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.38
Rot. Bonds5

About 4-methoxy-N'-methyl-3-nitro-N'-phenylbenzohydrazide

4-methoxy-N'-methyl-3-nitro-N'-phenylbenzohydrazide (PubChem CID 17432301) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 4-methoxy-N'-methyl-3-nitro-N'-phenylbenzohydrazide.

Molecular Properties

Compound Name4-methoxy-N'-methyl-3-nitro-N'-phenylbenzohydrazide
PubChem CID17432301
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name4-methoxy-N'-methyl-3-nitro-N'-phenylbenzohydrazide
SMILESCOc1ccc(C(=O)NN(C)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O4/c1-17(12-6-4-3-5-7-12)16-15(19)11-8-9-14(22-2)13(10-11)18(20)21/h3-10H,1-2H3,(H,16,19)
InChIKeyRGHRENHILWGRKV-UHFFFAOYSA-N
XLogP2.38
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'-benzoyl-4-methoxy-3-nitrobenzohydrazide
CID 4570893
(4-methoxy-3-nitrobenzoyl)carbamic acid;hydrochloride
CID 70634064
1,2-bis(4-methoxy-3-nitrophenyl)ethane-1,2-dione
CID 3126152
4-methoxy-3-nitro-N-(1-phenylpropan-2-yl)benzamide
CID 2908679
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-methoxy-3-nitrobenzamide
CID 51109535
N-(2-acetylphenyl)-4-methoxy-3-nitrobenzamide
CID 7948545
1-[(4-methoxy-3-nitrobenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81163964
4,5-dimethoxy-2-[(4-methoxy-3-nitrobenzoyl)amino]benzoic acid
CID 1260419
N'-methyl-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-N'-phenylbenzohydrazide
CID 52535971
N-(2-ethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 711588
4-methoxy-3-nitro-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 1095350
N-(2-anilino-2-oxo-1-phenylethyl)-4-methoxy-3-nitrobenzamide
CID 55778948

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N'-methyl-3-nitro-N'-phenylbenzohydrazide?
The IUPAC name of 4-methoxy-N'-methyl-3-nitro-N'-phenylbenzohydrazide (CID 17432301) is 4-methoxy-N'-methyl-3-nitro-N'-phenylbenzohydrazide.
What is the SMILES notation for 4-methoxy-N'-methyl-3-nitro-N'-phenylbenzohydrazide?
The canonical SMILES for 4-methoxy-N'-methyl-3-nitro-N'-phenylbenzohydrazide is COc1ccc(C(=O)NN(C)c2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of 4-methoxy-N'-methyl-3-nitro-N'-phenylbenzohydrazide?
The InChIKey is RGHRENHILWGRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-17(12-6-4-3-5-7-12)16-15(19)11-8-9-14(22-2)13(10-11)18(20)21/h3-10H,1-2H3,(H,16,19).
What are the key properties of 4-methoxy-N'-methyl-3-nitro-N'-phenylbenzohydrazide?
4-methoxy-N'-methyl-3-nitro-N'-phenylbenzohydrazide has a molecular weight of 301.30 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N'-methyl-3-nitro-N'-phenylbenzohydrazide is sourced from PubChem (CID 17432301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).