N-[(Z)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-nitrobenzamide

C17H15N3O3 — CID 6152139

IUPACN-[(Z)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-nitrobenzamide
SMILESO=C(N/N=C\c1ccc2c(c1)CCC2)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H15N3O3/c21-17(14-6-8-16(9-7-14)20(22)23)19-18-11-12-4-5-13-2-1-3-15(13)10-12/h4-11H,1-3H2,(H,19,21)/b18-11-
InChIKeyLNVFRRHZLXXOCI-WQRHYEAKSA-N
MW309.33 g/mol
LogP2.85
Rot. Bonds4

About N-[(Z)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-nitrobenzamide

N-[(Z)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-nitrobenzamide (PubChem CID 6152139) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[(Z)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-nitrobenzamide
PubChem CID6152139
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN-[(Z)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-nitrobenzamide
SMILESO=C(N/N=C\c1ccc2c(c1)CCC2)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H15N3O3/c21-17(14-6-8-16(9-7-14)20(22)23)19-18-11-12-4-5-13-2-1-3-15(13)10-12/h4-11H,1-3H2,(H,19,21)/b18-11-
InChIKeyLNVFRRHZLXXOCI-WQRHYEAKSA-N
XLogP2.85
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(E)-(4-nitrophenyl)methylideneamino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 91933933
N-(2,3-dihydro-1H-inden-5-ylmethylideneamino)-4-hydroxybenzamide
CID 4646693
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-4-nitrobenzamide
CID 135420166
N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-ethoxybenzamide
CID 44722545
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 771719
N-[(3-bromophenyl)methylideneamino]-4-nitrobenzamide
CID 3960646
N-[(Z)-(4-cyanophenyl)methylideneamino]-4-nitrobenzamide
CID 5373177
N-[(4-methoxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 2245175
N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide
CID 136832455
N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]pyridine-3-carboxamide
CID 44725537
N-[[4-(1,3-dihydroisoindol-2-yl)phenyl]methylideneamino]-4-nitrobenzamide
CID 5219958
N-[(Z)-cyclohexen-1-ylmethylideneamino]-4-nitrobenzamide
CID 42065755

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-nitrobenzamide?
The IUPAC name of N-[(Z)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-nitrobenzamide (CID 6152139) is N-[(Z)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-nitrobenzamide.
What is the SMILES notation for N-[(Z)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-nitrobenzamide?
The canonical SMILES for N-[(Z)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-nitrobenzamide is O=C(N/N=C\c1ccc2c(c1)CCC2)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(Z)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-nitrobenzamide?
The InChIKey is LNVFRRHZLXXOCI-WQRHYEAKSA-N. The full InChI is InChI=1S/C17H15N3O3/c21-17(14-6-8-16(9-7-14)20(22)23)19-18-11-12-4-5-13-2-1-3-15(13)10-12/h4-11H,1-3H2,(H,19,21)/b18-11-.
What are the key properties of N-[(Z)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-nitrobenzamide?
N-[(Z)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-nitrobenzamide has a molecular weight of 309.33 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-nitrobenzamide is sourced from PubChem (CID 6152139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).