N-[[2-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-4-cyano-2-fluorobenzamide

C24H19FN4O4 — CID 1282046

IUPACN-[[2-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-4-cyano-2-fluorobenzamide
SMILESCOc1cccc(C=NNC(=O)c2ccc(C#N)cc2F)c1OCC(=O)Nc1ccccc1
InChIInChI=1S/C24H19FN4O4/c1-32-21-9-5-6-17(23(21)33-15-22(30)28-18-7-3-2-4-8-18)14-27-29-24(31)19-11-10-16(13-26)12-20(19)25/h2-12,14H,15H2,1H3,(H,28,30)(H,29,31)
InChIKeyNOPUNWBLFSKETE-UHFFFAOYSA-N
MW446.44 g/mol
LogP3.49
Rot. Bonds8

About N-[[2-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-4-cyano-2-fluorobenzamide

N-[[2-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-4-cyano-2-fluorobenzamide (PubChem CID 1282046) has the molecular formula C24H19FN4O4 and a molecular weight of 446.44 g/mol. Its IUPAC name is N-[[2-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-4-cyano-2-fluorobenzamide.

Molecular Properties

Compound NameN-[[2-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-4-cyano-2-fluorobenzamide
PubChem CID1282046
Molecular FormulaC24H19FN4O4
Molecular Weight446.44 g/mol
Exact Mass446.14
IUPAC NameN-[[2-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-4-cyano-2-fluorobenzamide
SMILESCOc1cccc(C=NNC(=O)c2ccc(C#N)cc2F)c1OCC(=O)Nc1ccccc1
InChIInChI=1S/C24H19FN4O4/c1-32-21-9-5-6-17(23(21)33-15-22(30)28-18-7-3-2-4-8-18)14-27-29-24(31)19-11-10-16(13-26)12-20(19)25/h2-12,14H,15H2,1H3,(H,28,30)(H,29,31)
InChIKeyNOPUNWBLFSKETE-UHFFFAOYSA-N
XLogP3.49
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.44
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(Z)-[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]-N-phenylacetamide
CID 126221777
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 6911040
N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-fluorobenzamide
CID 4174378
3-methoxy-N-[(E)-[2-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126267926
2-[2-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 6229388
2-fluoro-N-[3-[2-[(3-methoxy-2-prop-2-ynoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 5028207
N-[(2,3-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide
CID 4981059
2-(4-cyano-2-methoxyphenoxy)-N-(2-fluorophenyl)acetamide
CID 2492568
N-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 110509480
2-methoxy-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]benzamide
CID 110505829
N-[(E)-[4-[2-(4-chloroanilino)-2-oxoethoxy]-3-iodo-5-methoxyphenyl]methylideneamino]benzamide
CID 126278513
4-cyano-2-fluoro-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylideneamino]benzamide
CID 3953048

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-4-cyano-2-fluorobenzamide?
The IUPAC name of N-[[2-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-4-cyano-2-fluorobenzamide (CID 1282046) is N-[[2-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-4-cyano-2-fluorobenzamide.
What is the SMILES notation for N-[[2-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-4-cyano-2-fluorobenzamide?
The canonical SMILES for N-[[2-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-4-cyano-2-fluorobenzamide is COc1cccc(C=NNC(=O)c2ccc(C#N)cc2F)c1OCC(=O)Nc1ccccc1.
What is the InChIKey of N-[[2-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-4-cyano-2-fluorobenzamide?
The InChIKey is NOPUNWBLFSKETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O4/c1-32-21-9-5-6-17(23(21)33-15-22(30)28-18-7-3-2-4-8-18)14-27-29-24(31)19-11-10-16(13-26)12-20(19)25/h2-12,14H,15H2,1H3,(H,28,30)(H,29,31).
What are the key properties of N-[[2-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-4-cyano-2-fluorobenzamide?
N-[[2-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-4-cyano-2-fluorobenzamide has a molecular weight of 446.44 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-4-cyano-2-fluorobenzamide is sourced from PubChem (CID 1282046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).