N'-(2-anilinoacetyl)-2-(methylamino)-5-nitrobenzohydrazide

C16H17N5O4 — CID 154759918

IUPACN'-(2-anilinoacetyl)-2-(methylamino)-5-nitrobenzohydrazide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)CNc1ccccc1
InChIInChI=1S/C16H17N5O4/c1-17-14-8-7-12(21(24)25)9-13(14)16(23)20-19-15(22)10-18-11-5-3-2-4-6-11/h2-9,17-18H,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyOHYUJKQHNWIPFO-UHFFFAOYSA-N
MW343.34 g/mol
LogP1.51
Rot. Bonds6

About N'-(2-anilinoacetyl)-2-(methylamino)-5-nitrobenzohydrazide

N'-(2-anilinoacetyl)-2-(methylamino)-5-nitrobenzohydrazide (PubChem CID 154759918) has the molecular formula C16H17N5O4 and a molecular weight of 343.34 g/mol. Its IUPAC name is N'-(2-anilinoacetyl)-2-(methylamino)-5-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-(2-anilinoacetyl)-2-(methylamino)-5-nitrobenzohydrazide
PubChem CID154759918
Molecular FormulaC16H17N5O4
Molecular Weight343.34 g/mol
Exact Mass343.13
IUPAC NameN'-(2-anilinoacetyl)-2-(methylamino)-5-nitrobenzohydrazide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)CNc1ccccc1
InChIInChI=1S/C16H17N5O4/c1-17-14-8-7-12(21(24)25)9-13(14)16(23)20-19-15(22)10-18-11-5-3-2-4-6-11/h2-9,17-18H,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyOHYUJKQHNWIPFO-UHFFFAOYSA-N
XLogP1.51
TPSA125.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 51.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-(4-methoxyanilino)acetyl]-2-(methylamino)-5-nitrobenzohydrazide
CID 55463130
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(methylamino)-5-nitrobenzohydrazide
CID 24531978
2-bromo-N'-[2-(3-nitroanilino)acetyl]benzohydrazide
CID 9081549
2-(methylamino)-5-nitro-N-[(2S)-2-phenylpropyl]benzamide
CID 27017917
2-(methylamino)-N-naphthalen-1-yl-5-nitrobenzamide
CID 16963020
N-(3,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 24531986
N-[[4-(methoxymethyl)phenyl]methyl]-2-(methylamino)-5-nitrobenzamide
CID 46415800
2-(methylamino)-N-[(1-methylcyclopentyl)methyl]-5-nitrobenzamide
CID 63822125
N-(2-benzoylphenyl)-2-(4-nitroanilino)acetamide
CID 9082146
2-(2,3-dihydroxypropylamino)-5-nitro-N-phenylbenzamide
CID 168593792
N-[2-[[[2-(methylamino)-5-nitrobenzoyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 27023469
[2-(methylamino)-2-oxoethyl] 2-(benzylamino)-5-nitrobenzoate
CID 7878810

Frequently Asked Questions

What is the IUPAC name of N'-(2-anilinoacetyl)-2-(methylamino)-5-nitrobenzohydrazide?
The IUPAC name of N'-(2-anilinoacetyl)-2-(methylamino)-5-nitrobenzohydrazide (CID 154759918) is N'-(2-anilinoacetyl)-2-(methylamino)-5-nitrobenzohydrazide.
What is the SMILES notation for N'-(2-anilinoacetyl)-2-(methylamino)-5-nitrobenzohydrazide?
The canonical SMILES for N'-(2-anilinoacetyl)-2-(methylamino)-5-nitrobenzohydrazide is CNc1ccc([N+](=O)[O-])cc1C(=O)NNC(=O)CNc1ccccc1.
What is the InChIKey of N'-(2-anilinoacetyl)-2-(methylamino)-5-nitrobenzohydrazide?
The InChIKey is OHYUJKQHNWIPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O4/c1-17-14-8-7-12(21(24)25)9-13(14)16(23)20-19-15(22)10-18-11-5-3-2-4-6-11/h2-9,17-18H,10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N'-(2-anilinoacetyl)-2-(methylamino)-5-nitrobenzohydrazide?
N'-(2-anilinoacetyl)-2-(methylamino)-5-nitrobenzohydrazide has a molecular weight of 343.34 g/mol, XLogP of 1.51, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-anilinoacetyl)-2-(methylamino)-5-nitrobenzohydrazide is sourced from PubChem (CID 154759918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).