2-[(3-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide

C17H12N4O5 — CID 3876523

IUPAC2-[(3-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide
SMILESNC(=O)c1cc2ccccc2oc1=NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H12N4O5/c18-15(22)13-9-10-4-1-2-7-14(10)26-17(13)20-19-16(23)11-5-3-6-12(8-11)21(24)25/h1-9H,(H2,18,22)(H,19,23)
InChIKeyHLIFKACIPGFOAF-UHFFFAOYSA-N
MW352.31 g/mol
LogP1.69
Rot. Bonds4

About 2-[(3-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide

2-[(3-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide (PubChem CID 3876523) has the molecular formula C17H12N4O5 and a molecular weight of 352.31 g/mol. Its IUPAC name is 2-[(3-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide.

Molecular Properties

Compound Name2-[(3-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide
PubChem CID3876523
Molecular FormulaC17H12N4O5
Molecular Weight352.31 g/mol
Exact Mass352.08
IUPAC Name2-[(3-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide
SMILESNC(=O)c1cc2ccccc2oc1=NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H12N4O5/c18-15(22)13-9-10-4-1-2-7-14(10)26-17(13)20-19-16(23)11-5-3-6-12(8-11)21(24)25/h1-9H,(H2,18,22)(H,19,23)
InChIKeyHLIFKACIPGFOAF-UHFFFAOYSA-N
XLogP1.69
TPSA140.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-[(4-fluorobenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 5186461
(2Z)-2-[(4-bromobenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 21239666
6-methoxy-2-[(4-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 3576903
N-acetyl-2-(3-nitrophenyl)iminochromene-3-carboxamide
CID 3551881
[(3-acetylchromen-2-ylidene)amino]thiourea
CID 123442126
N-[(Z)-[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]-4-nitrobenzamide
CID 98117948
3-nitro-N-[3-[(3-nitrobenzoyl)amino]naphthalen-2-yl]benzamide
CID 4301788
N-[(E)-(3-carbamoylchromen-2-ylidene)amino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 95796047
3-[(3-nitrobenzoyl)amino]benzamide
CID 25431511
3-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
CID 2790127
N-[2-methyl-4-[(3-nitrobenzoyl)carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide
CID 21214915
6-nitro-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
CID 1020866

Frequently Asked Questions

What is the IUPAC name of 2-[(3-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide?
The IUPAC name of 2-[(3-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide (CID 3876523) is 2-[(3-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide.
What is the SMILES notation for 2-[(3-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide?
The canonical SMILES for 2-[(3-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide is NC(=O)c1cc2ccccc2oc1=NNC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-[(3-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide?
The InChIKey is HLIFKACIPGFOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O5/c18-15(22)13-9-10-4-1-2-7-14(10)26-17(13)20-19-16(23)11-5-3-6-12(8-11)21(24)25/h1-9H,(H2,18,22)(H,19,23).
What are the key properties of 2-[(3-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide?
2-[(3-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide has a molecular weight of 352.31 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide is sourced from PubChem (CID 3876523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).