4-(2-methylanilino)-3,5-dinitrobenzohydrazide

C14H13N5O5 — CID 132593736

IUPAC4-(2-methylanilino)-3,5-dinitrobenzohydrazide
SMILESCc1ccccc1Nc1c([N+](=O)[O-])cc(C(=O)NN)cc1[N+](=O)[O-]
InChIInChI=1S/C14H13N5O5/c1-8-4-2-3-5-10(8)16-13-11(18(21)22)6-9(14(20)17-15)7-12(13)19(23)24/h2-7,16H,15H2,1H3,(H,17,20)
InChIKeyUVQNSVDHNJGBBI-UHFFFAOYSA-N
MW331.29 g/mol
LogP2.16
Rot. Bonds5

About 4-(2-methylanilino)-3,5-dinitrobenzohydrazide

4-(2-methylanilino)-3,5-dinitrobenzohydrazide (PubChem CID 132593736) has the molecular formula C14H13N5O5 and a molecular weight of 331.29 g/mol. Its IUPAC name is 4-(2-methylanilino)-3,5-dinitrobenzohydrazide.

Molecular Properties

Compound Name4-(2-methylanilino)-3,5-dinitrobenzohydrazide
PubChem CID132593736
Molecular FormulaC14H13N5O5
Molecular Weight331.29 g/mol
Exact Mass331.09
IUPAC Name4-(2-methylanilino)-3,5-dinitrobenzohydrazide
SMILESCc1ccccc1Nc1c([N+](=O)[O-])cc(C(=O)NN)cc1[N+](=O)[O-]
InChIInChI=1S/C14H13N5O5/c1-8-4-2-3-5-10(8)16-13-11(18(21)22)6-9(14(20)17-15)7-12(13)19(23)24/h2-7,16H,15H2,1H3,(H,17,20)
InChIKeyUVQNSVDHNJGBBI-UHFFFAOYSA-N
XLogP2.16
TPSA153.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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'}

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Related Compounds

4-anilino-3,5-dinitrobenzohydrazide
CID 132593734
4-(3,5-dimethylanilino)-3,5-dinitrobenzohydrazide
CID 132593851
4-(2-methylanilino)-3-nitrobenzamide
CID 4883898
3-(2-methylanilino)-4-nitrobenzoic acid
CID 82784154
3-amino-N-(2-methylphenyl)-4-nitrobenzamide
CID 62682473
4-methoxy-3,5-dinitrobenzohydrazide
CID 4298975
3-[[4-(2,4-dimethylanilino)-3,5-dinitrobenzoyl]amino]benzoic acid
CID 5241640
4-(cyclopentylamino)-3,5-dinitrobenzohydrazide
CID 132593891
N-(2-carbamoylphenyl)-4-methyl-3,5-dinitrobenzamide
CID 19174875
4-chloro-3-nitrobenzohydrazide
CID 3704353
[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 5-(2-methylanilino)-5-oxopentanoate
CID 4671790
4-methyl-N-[2-(4-methylanilino)phenyl]-3,5-dinitrobenzamide
CID 108745001

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylanilino)-3,5-dinitrobenzohydrazide?
The IUPAC name of 4-(2-methylanilino)-3,5-dinitrobenzohydrazide (CID 132593736) is 4-(2-methylanilino)-3,5-dinitrobenzohydrazide.
What is the SMILES notation for 4-(2-methylanilino)-3,5-dinitrobenzohydrazide?
The canonical SMILES for 4-(2-methylanilino)-3,5-dinitrobenzohydrazide is Cc1ccccc1Nc1c([N+](=O)[O-])cc(C(=O)NN)cc1[N+](=O)[O-].
What is the InChIKey of 4-(2-methylanilino)-3,5-dinitrobenzohydrazide?
The InChIKey is UVQNSVDHNJGBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O5/c1-8-4-2-3-5-10(8)16-13-11(18(21)22)6-9(14(20)17-15)7-12(13)19(23)24/h2-7,16H,15H2,1H3,(H,17,20).
What are the key properties of 4-(2-methylanilino)-3,5-dinitrobenzohydrazide?
4-(2-methylanilino)-3,5-dinitrobenzohydrazide has a molecular weight of 331.29 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylanilino)-3,5-dinitrobenzohydrazide is sourced from PubChem (CID 132593736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).