N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-3-nitrobenzohydrazide

C18H17N3O4 — CID 8573535

IUPACN'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-3-nitrobenzohydrazide
SMILESO=C(Cc1ccc2c(c1)CCC2)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H17N3O4/c22-17(10-12-7-8-13-3-1-4-14(13)9-12)19-20-18(23)15-5-2-6-16(11-15)21(24)25/h2,5-9,11H,1,3-4,10H2,(H,19,22)(H,20,23)
InChIKeyPWYVUXHIDKSRRR-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.09
Rot. Bonds4

About N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-3-nitrobenzohydrazide

N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-3-nitrobenzohydrazide (PubChem CID 8573535) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-3-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-3-nitrobenzohydrazide
PubChem CID8573535
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-3-nitrobenzohydrazide
SMILESO=C(Cc1ccc2c(c1)CCC2)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H17N3O4/c22-17(10-12-7-8-13-3-1-4-14(13)9-12)19-20-18(23)15-5-2-6-16(11-15)21(24)25/h2,5-9,11H,1,3-4,10H2,(H,19,22)(H,20,23)
InChIKeyPWYVUXHIDKSRRR-UHFFFAOYSA-N
XLogP2.09
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-nitro-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide
CID 9218965
N'-[2-(3-hydroxyphenyl)acetyl]-3,5-dinitrobenzohydrazide
CID 59421966
N'-(2-methoxyacetyl)-3-nitrobenzohydrazide
CID 17386589
3-nitro-N-[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]benzamide
CID 9395601
N'-(3-methylbutanoyl)-3-nitrobenzohydrazide
CID 9333812
N'-(2-cyclopentylsulfanylacetyl)-3-nitrobenzohydrazide
CID 8763621
[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]urea
CID 18168702
N'-(3-ethoxypropanoyl)-3-nitrobenzohydrazide
CID 17357857
N'-(3-nitrobenzoyl)furan-2-carbohydrazide
CID 3127339
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-[(3-nitrobenzoyl)amino]acetate
CID 7843447
N'-(3,3-diphenylpropanoyl)-3-nitrobenzohydrazide
CID 4023612
5-bromo-N-[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 27662850

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-3-nitrobenzohydrazide?
The IUPAC name of N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-3-nitrobenzohydrazide (CID 8573535) is N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-3-nitrobenzohydrazide.
What is the SMILES notation for N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-3-nitrobenzohydrazide?
The canonical SMILES for N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-3-nitrobenzohydrazide is O=C(Cc1ccc2c(c1)CCC2)NNC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-3-nitrobenzohydrazide?
The InChIKey is PWYVUXHIDKSRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c22-17(10-12-7-8-13-3-1-4-14(13)9-12)19-20-18(23)15-5-2-6-16(11-15)21(24)25/h2,5-9,11H,1,3-4,10H2,(H,19,22)(H,20,23).
What are the key properties of N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-3-nitrobenzohydrazide?
N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-3-nitrobenzohydrazide has a molecular weight of 339.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-3-nitrobenzohydrazide is sourced from PubChem (CID 8573535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).