N-acetyl-2-(4-methoxyphenyl)imino-6-nitrochromene-3-carboxamide

C19H15N3O6 — CID 3635457

IUPACN-acetyl-2-(4-methoxyphenyl)imino-6-nitrochromene-3-carboxamide
SMILESCOc1ccc(/N=c2\oc3ccc([N+](=O)[O-])cc3cc2C(=O)NC(C)=O)cc1
InChIInChI=1S/C19H15N3O6/c1-11(23)20-18(24)16-10-12-9-14(22(25)26)5-8-17(12)28-19(16)21-13-3-6-15(27-2)7-4-13/h3-10H,1-2H3,(H,20,23,24)/b21-19-
InChIKeyOYUOUILHBRCDFG-VZCXRCSSSA-N
MW381.34 g/mol
LogP2.86
Rot. Bonds4

About N-acetyl-2-(4-methoxyphenyl)imino-6-nitrochromene-3-carboxamide

N-acetyl-2-(4-methoxyphenyl)imino-6-nitrochromene-3-carboxamide (PubChem CID 3635457) has the molecular formula C19H15N3O6 and a molecular weight of 381.34 g/mol. Its IUPAC name is N-acetyl-2-(4-methoxyphenyl)imino-6-nitrochromene-3-carboxamide.

Molecular Properties

Compound NameN-acetyl-2-(4-methoxyphenyl)imino-6-nitrochromene-3-carboxamide
PubChem CID3635457
Molecular FormulaC19H15N3O6
Molecular Weight381.34 g/mol
Exact Mass381.10
IUPAC NameN-acetyl-2-(4-methoxyphenyl)imino-6-nitrochromene-3-carboxamide
SMILESCOc1ccc(/N=c2\oc3ccc([N+](=O)[O-])cc3cc2C(=O)NC(C)=O)cc1
InChIInChI=1S/C19H15N3O6/c1-11(23)20-18(24)16-10-12-9-14(22(25)26)5-8-17(12)28-19(16)21-13-3-6-15(27-2)7-4-13/h3-10H,1-2H3,(H,20,23,24)/b21-19-
InChIKeyOYUOUILHBRCDFG-VZCXRCSSSA-N
XLogP2.86
TPSA124.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

N-acetyl-2-(3-methylphenyl)imino-6-nitrochromene-3-carboxamide
CID 4053248
N-acetyl-2-(4-acetylphenyl)imino-6-methoxychromene-3-carboxamide
CID 1020902
N-acetyl-2-(3-nitrophenyl)iminochromene-3-carboxamide
CID 3551881
N-(4-methoxyphenyl)-2-(2-methoxyphenyl)imino-6-nitrochromene-3-carboxamide
CID 3954525
1-[6-fluoro-2-(4-methoxyphenyl)iminochromen-3-yl]ethanone
CID 71248663
1-[6-chloro-2-(4-nitrophenyl)iminochromen-3-yl]ethanethione
CID 89402656
2-(3,4-dimethylphenyl)imino-6-nitro-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 4051011
2-imino-N-(4-methoxyphenyl)-6-nitrochromene-3-carboxamide
CID 19573970
2-(2-methoxyphenyl)imino-N-(3-methylphenyl)-6-nitrochromene-3-carboxamide
CID 4673012
6-methoxy-2-[(4-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 3576903
(4-methoxyphenyl)-(5-nitro-1-benzofuran-2-yl)methanone
CID 2728228
4-methoxy-N-(6-nitro-2-oxochromen-3-yl)benzamide
CID 827907

Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-(4-methoxyphenyl)imino-6-nitrochromene-3-carboxamide?
The IUPAC name of N-acetyl-2-(4-methoxyphenyl)imino-6-nitrochromene-3-carboxamide (CID 3635457) is N-acetyl-2-(4-methoxyphenyl)imino-6-nitrochromene-3-carboxamide.
What is the SMILES notation for N-acetyl-2-(4-methoxyphenyl)imino-6-nitrochromene-3-carboxamide?
The canonical SMILES for N-acetyl-2-(4-methoxyphenyl)imino-6-nitrochromene-3-carboxamide is COc1ccc(/N=c2\oc3ccc([N+](=O)[O-])cc3cc2C(=O)NC(C)=O)cc1.
What is the InChIKey of N-acetyl-2-(4-methoxyphenyl)imino-6-nitrochromene-3-carboxamide?
The InChIKey is OYUOUILHBRCDFG-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H15N3O6/c1-11(23)20-18(24)16-10-12-9-14(22(25)26)5-8-17(12)28-19(16)21-13-3-6-15(27-2)7-4-13/h3-10H,1-2H3,(H,20,23,24)/b21-19-.
What are the key properties of N-acetyl-2-(4-methoxyphenyl)imino-6-nitrochromene-3-carboxamide?
N-acetyl-2-(4-methoxyphenyl)imino-6-nitrochromene-3-carboxamide has a molecular weight of 381.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-(4-methoxyphenyl)imino-6-nitrochromene-3-carboxamide is sourced from PubChem (CID 3635457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).