N-[1-(1-hydroxy-3-oxoinden-2-yl)propylideneamino]-4-nitrobenzamide

C19H15N3O5 — CID 135516915

IUPACN-[1-(1-hydroxy-3-oxoinden-2-yl)propylideneamino]-4-nitrobenzamide
SMILESCCC(=NNC(=O)c1ccc([N+](=O)[O-])cc1)C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C19H15N3O5/c1-2-15(16-17(23)13-5-3-4-6-14(13)18(16)24)20-21-19(25)11-7-9-12(10-8-11)22(26)27/h3-10,23H,2H2,1H3,(H,21,25)
InChIKeyMLULRQXZNWHAAW-UHFFFAOYSA-N
MW365.35 g/mol
LogP3.26
Rot. Bonds5

About N-[1-(1-hydroxy-3-oxoinden-2-yl)propylideneamino]-4-nitrobenzamide

N-[1-(1-hydroxy-3-oxoinden-2-yl)propylideneamino]-4-nitrobenzamide (PubChem CID 135516915) has the molecular formula C19H15N3O5 and a molecular weight of 365.35 g/mol. Its IUPAC name is N-[1-(1-hydroxy-3-oxoinden-2-yl)propylideneamino]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[1-(1-hydroxy-3-oxoinden-2-yl)propylideneamino]-4-nitrobenzamide
PubChem CID135516915
Molecular FormulaC19H15N3O5
Molecular Weight365.35 g/mol
Exact Mass365.10
IUPAC NameN-[1-(1-hydroxy-3-oxoinden-2-yl)propylideneamino]-4-nitrobenzamide
SMILESCCC(=NNC(=O)c1ccc([N+](=O)[O-])cc1)C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C19H15N3O5/c1-2-15(16-17(23)13-5-3-4-6-14(13)18(16)24)20-21-19(25)11-7-9-12(10-8-11)22(26)27/h3-10,23H,2H2,1H3,(H,21,25)
InChIKeyMLULRQXZNWHAAW-UHFFFAOYSA-N
XLogP3.26
TPSA121.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 53.26
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

4-nitro-N-(pentan-3-ylideneamino)benzamide
CID 4230759
1-hydroxy-N-(4-nitrophenyl)-3-oxoindene-2-carboxamide
CID 54689424
3-hydroxy-2-[(E)-C-methyl-N-(4-nitroanilino)carbonimidoyl]inden-1-one
CID 135675030
N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-nitrobenzamide
CID 54785337
N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 715758
4-nitro-N-(pentan-2-ylideneamino)benzamide
CID 5106021
N-(diaminomethylideneamino)-4-nitrobenzamide
CID 10632849
2-(4-methylbenzoyl)-3-(4-nitrobenzoyl)naphthalene-1,4-dione
CID 18785316
4-nitro-N-[(Z)-4-phenylbutan-2-ylideneamino]benzamide
CID 5331274
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide
CID 135736270
N-[(Z)-1-(2-methoxyphenyl)propan-2-ylideneamino]-4-nitrobenzamide
CID 9015021
N-(9,10-dioxoanthracen-2-yl)-4-nitrobenzamide
CID 3422751

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-hydroxy-3-oxoinden-2-yl)propylideneamino]-4-nitrobenzamide?
The IUPAC name of N-[1-(1-hydroxy-3-oxoinden-2-yl)propylideneamino]-4-nitrobenzamide (CID 135516915) is N-[1-(1-hydroxy-3-oxoinden-2-yl)propylideneamino]-4-nitrobenzamide.
What is the SMILES notation for N-[1-(1-hydroxy-3-oxoinden-2-yl)propylideneamino]-4-nitrobenzamide?
The canonical SMILES for N-[1-(1-hydroxy-3-oxoinden-2-yl)propylideneamino]-4-nitrobenzamide is CCC(=NNC(=O)c1ccc([N+](=O)[O-])cc1)C1=C(O)c2ccccc2C1=O.
What is the InChIKey of N-[1-(1-hydroxy-3-oxoinden-2-yl)propylideneamino]-4-nitrobenzamide?
The InChIKey is MLULRQXZNWHAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O5/c1-2-15(16-17(23)13-5-3-4-6-14(13)18(16)24)20-21-19(25)11-7-9-12(10-8-11)22(26)27/h3-10,23H,2H2,1H3,(H,21,25).
What are the key properties of N-[1-(1-hydroxy-3-oxoinden-2-yl)propylideneamino]-4-nitrobenzamide?
N-[1-(1-hydroxy-3-oxoinden-2-yl)propylideneamino]-4-nitrobenzamide has a molecular weight of 365.35 g/mol, XLogP of 3.26, 5 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)propylideneamino]-4-nitrobenzamide is sourced from PubChem (CID 135516915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).