N-[1-(1-hydroxy-3-oxoinden-2-yl)ethylideneamino]-2-nitrobenzamide

C18H13N3O5 — CID 170922650

IUPACN-[1-(1-hydroxy-3-oxoinden-2-yl)ethylideneamino]-2-nitrobenzamide
SMILESCC(=NNC(=O)c1ccccc1[N+](=O)[O-])C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C18H13N3O5/c1-10(15-16(22)11-6-2-3-7-12(11)17(15)23)19-20-18(24)13-8-4-5-9-14(13)21(25)26/h2-9,22H,1H3,(H,20,24)
InChIKeySFWVMZLOBDWIAI-UHFFFAOYSA-N
MW351.32 g/mol
LogP2.87
Rot. Bonds4

About N-[1-(1-hydroxy-3-oxoinden-2-yl)ethylideneamino]-2-nitrobenzamide

N-[1-(1-hydroxy-3-oxoinden-2-yl)ethylideneamino]-2-nitrobenzamide (PubChem CID 170922650) has the molecular formula C18H13N3O5 and a molecular weight of 351.32 g/mol. Its IUPAC name is N-[1-(1-hydroxy-3-oxoinden-2-yl)ethylideneamino]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[1-(1-hydroxy-3-oxoinden-2-yl)ethylideneamino]-2-nitrobenzamide
PubChem CID170922650
Molecular FormulaC18H13N3O5
Molecular Weight351.32 g/mol
Exact Mass351.09
IUPAC NameN-[1-(1-hydroxy-3-oxoinden-2-yl)ethylideneamino]-2-nitrobenzamide
SMILESCC(=NNC(=O)c1ccccc1[N+](=O)[O-])C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C18H13N3O5/c1-10(15-16(22)11-6-2-3-7-12(11)17(15)23)19-20-18(24)13-8-4-5-9-14(13)21(25)26/h2-9,22H,1H3,(H,20,24)
InChIKeySFWVMZLOBDWIAI-UHFFFAOYSA-N
XLogP2.87
TPSA121.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_enamin(30)', 'substructure': 'N/A'}, {'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}, {'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-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-nitrobenzamide
CID 5396796
N-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]-2-nitrobenzamide
CID 135400720
3-hydroxy-2-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]inden-1-one
CID 135675030
N-[1-(3-aminophenyl)ethylideneamino]-2-nitrobenzamide
CID 769756
2-nitro-N-(1-pyridin-3-ylethylideneamino)benzamide
CID 5154490
N-[1-(4-ethoxyphenyl)ethylideneamino]-2-nitrobenzamide
CID 840527
N-[1-(1-hydroxy-3-oxoinden-2-yl)propylideneamino]-4-nitrobenzamide
CID 135516915
N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2-nitrobenzamide
CID 135899627
ethyl 2-ethyl-3-[(2-nitrobenzoyl)hydrazinylidene]butanoate
CID 2858115
N-[4-[C-methyl-N-[(2-nitrobenzoyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide
CID 4109488
2-nitro-N-(3-oxobutan-2-yl)benzamide
CID 64997071
N-[(E)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-nitrobenzamide
CID 40568232

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-hydroxy-3-oxoinden-2-yl)ethylideneamino]-2-nitrobenzamide?
The IUPAC name of N-[1-(1-hydroxy-3-oxoinden-2-yl)ethylideneamino]-2-nitrobenzamide (CID 170922650) is N-[1-(1-hydroxy-3-oxoinden-2-yl)ethylideneamino]-2-nitrobenzamide.
What is the SMILES notation for N-[1-(1-hydroxy-3-oxoinden-2-yl)ethylideneamino]-2-nitrobenzamide?
The canonical SMILES for N-[1-(1-hydroxy-3-oxoinden-2-yl)ethylideneamino]-2-nitrobenzamide is CC(=NNC(=O)c1ccccc1[N+](=O)[O-])C1=C(O)c2ccccc2C1=O.
What is the InChIKey of N-[1-(1-hydroxy-3-oxoinden-2-yl)ethylideneamino]-2-nitrobenzamide?
The InChIKey is SFWVMZLOBDWIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O5/c1-10(15-16(22)11-6-2-3-7-12(11)17(15)23)19-20-18(24)13-8-4-5-9-14(13)21(25)26/h2-9,22H,1H3,(H,20,24).
What are the key properties of N-[1-(1-hydroxy-3-oxoinden-2-yl)ethylideneamino]-2-nitrobenzamide?
N-[1-(1-hydroxy-3-oxoinden-2-yl)ethylideneamino]-2-nitrobenzamide has a molecular weight of 351.32 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-hydroxy-3-oxoinden-2-yl)ethylideneamino]-2-nitrobenzamide is sourced from PubChem (CID 170922650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).