N-(3-nitrophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide

C18H14N4O3 — CID 46343897

IUPACN-(3-nitrophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1[nH]nc2c1CCc1ccccc1-2
InChIInChI=1S/C18H14N4O3/c23-18(19-12-5-3-6-13(10-12)22(24)25)17-15-9-8-11-4-1-2-7-14(11)16(15)20-21-17/h1-7,10H,8-9H2,(H,19,23)(H,20,21)
InChIKeyCUADDZGFDUIPLD-UHFFFAOYSA-N
MW334.34 g/mol
LogP3.34
Rot. Bonds3

About N-(3-nitrophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide

N-(3-nitrophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (PubChem CID 46343897) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-(3-nitrophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
PubChem CID46343897
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC NameN-(3-nitrophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1[nH]nc2c1CCc1ccccc1-2
InChIInChI=1S/C18H14N4O3/c23-18(19-12-5-3-6-13(10-12)22(24)25)17-15-9-8-11-4-1-2-7-14(11)16(15)20-21-17/h1-7,10H,8-9H2,(H,19,23)(H,20,21)
InChIKeyCUADDZGFDUIPLD-UHFFFAOYSA-N
XLogP3.34
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.34
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

7-methoxy-N-(3-nitrophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 46343914
N-[(E)-(3-nitrophenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 6862137
N-(4-chlorophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20953929
N-[(Z)-1-(4-nitrophenyl)ethylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 6115229
N-[(E)-1-(4-nitrophenyl)ethylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 90486458
N-(1H-1,2,4-triazol-5-yl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 71827942
3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
CID 17259456
2-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]-2-hydroxy-2-(3-nitrophenyl)-N-phenylacetamide
CID 139957617
N-(3-nitrophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997874
4-hydroxy-N-(3-nitrophenyl)benzamide
CID 22759587
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
2-cyano-N-(3-nitrophenyl)-3-oxo-3-(1-phenyl-4,5-dihydrobenzo[g]indazol-3-yl)propanamide
CID 170857947

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The IUPAC name of N-(3-nitrophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (CID 46343897) is N-(3-nitrophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.
What is the SMILES notation for N-(3-nitrophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The canonical SMILES for N-(3-nitrophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is O=C(Nc1cccc([N+](=O)[O-])c1)c1[nH]nc2c1CCc1ccccc1-2.
What is the InChIKey of N-(3-nitrophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The InChIKey is CUADDZGFDUIPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c23-18(19-12-5-3-6-13(10-12)22(24)25)17-15-9-8-11-4-1-2-7-14(11)16(15)20-21-17/h1-7,10H,8-9H2,(H,19,23)(H,20,21).
What are the key properties of N-(3-nitrophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
N-(3-nitrophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is sourced from PubChem (CID 46343897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).