N'-[2-(4-methoxyanilino)acetyl]-2-(methylamino)-5-nitrobenzohydrazide

C17H19N5O5 — CID 55463130

IUPACN'-[2-(4-methoxyanilino)acetyl]-2-(methylamino)-5-nitrobenzohydrazide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)CNc1ccc(OC)cc1
InChIInChI=1S/C17H19N5O5/c1-18-15-8-5-12(22(25)26)9-14(15)17(24)21-20-16(23)10-19-11-3-6-13(27-2)7-4-11/h3-9,18-19H,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyUBNVTHWOQXEOQL-UHFFFAOYSA-N
MW373.37 g/mol
LogP1.52
Rot. Bonds7

About N'-[2-(4-methoxyanilino)acetyl]-2-(methylamino)-5-nitrobenzohydrazide

N'-[2-(4-methoxyanilino)acetyl]-2-(methylamino)-5-nitrobenzohydrazide (PubChem CID 55463130) has the molecular formula C17H19N5O5 and a molecular weight of 373.37 g/mol. Its IUPAC name is N'-[2-(4-methoxyanilino)acetyl]-2-(methylamino)-5-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-methoxyanilino)acetyl]-2-(methylamino)-5-nitrobenzohydrazide
PubChem CID55463130
Molecular FormulaC17H19N5O5
Molecular Weight373.37 g/mol
Exact Mass373.14
IUPAC NameN'-[2-(4-methoxyanilino)acetyl]-2-(methylamino)-5-nitrobenzohydrazide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)CNc1ccc(OC)cc1
InChIInChI=1S/C17H19N5O5/c1-18-15-8-5-12(22(25)26)9-14(15)17(24)21-20-16(23)10-19-11-3-6-13(27-2)7-4-11/h3-9,18-19H,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyUBNVTHWOQXEOQL-UHFFFAOYSA-N
XLogP1.52
TPSA134.63 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', '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

N'-(2-anilinoacetyl)-2-(methylamino)-5-nitrobenzohydrazide
CID 154759918
N-(4-methoxyphenyl)-2-(methylamino)-5-nitrobenzamide
CID 4296283
1-[[2-(4-methoxyanilino)acetyl]amino]-3-(4-nitrophenyl)thiourea
CID 8617564
2,5-dimethoxy-N'-[2-(4-methoxyanilino)acetyl]benzohydrazide
CID 55361417
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(methylamino)-5-nitrobenzohydrazide
CID 24531978
N-[[4-(methoxymethyl)phenyl]methyl]-2-(methylamino)-5-nitrobenzamide
CID 46415800
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(methylamino)-5-nitrobenzoate
CID 7752027
2-(4-ethoxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 134008031
3-[[2-(4-methoxyanilino)-5-nitrobenzoyl]amino]propanoic acid
CID 67824851
N-(3-methoxypropyl)-2-(methylamino)-5-nitrobenzamide
CID 35513765
3-methoxy-N'-[2-(methylamino)-5-nitrobenzoyl]-4-(3-methylbutoxy)benzohydrazide
CID 24531838
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(methylamino)-5-nitrobenzoate
CID 7752228

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxyanilino)acetyl]-2-(methylamino)-5-nitrobenzohydrazide?
The IUPAC name of N'-[2-(4-methoxyanilino)acetyl]-2-(methylamino)-5-nitrobenzohydrazide (CID 55463130) is N'-[2-(4-methoxyanilino)acetyl]-2-(methylamino)-5-nitrobenzohydrazide.
What is the SMILES notation for N'-[2-(4-methoxyanilino)acetyl]-2-(methylamino)-5-nitrobenzohydrazide?
The canonical SMILES for N'-[2-(4-methoxyanilino)acetyl]-2-(methylamino)-5-nitrobenzohydrazide is CNc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)CNc1ccc(OC)cc1.
What is the InChIKey of N'-[2-(4-methoxyanilino)acetyl]-2-(methylamino)-5-nitrobenzohydrazide?
The InChIKey is UBNVTHWOQXEOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O5/c1-18-15-8-5-12(22(25)26)9-14(15)17(24)21-20-16(23)10-19-11-3-6-13(27-2)7-4-11/h3-9,18-19H,10H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N'-[2-(4-methoxyanilino)acetyl]-2-(methylamino)-5-nitrobenzohydrazide?
N'-[2-(4-methoxyanilino)acetyl]-2-(methylamino)-5-nitrobenzohydrazide has a molecular weight of 373.37 g/mol, XLogP of 1.52, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxyanilino)acetyl]-2-(methylamino)-5-nitrobenzohydrazide is sourced from PubChem (CID 55463130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).