N-[2-[2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide

C19H20FN3O4 — CID 3324224

IUPACN-[2-[2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
SMILESCOc1ccc(C(C)=NNC(=O)CNC(=O)c2ccccc2F)c(OC)c1
InChIInChI=1S/C19H20FN3O4/c1-12(14-9-8-13(26-2)10-17(14)27-3)22-23-18(24)11-21-19(25)15-6-4-5-7-16(15)20/h4-10H,11H2,1-3H3,(H,21,25)(H,23,24)
InChIKeyGWVNKLVHIPVYIP-UHFFFAOYSA-N
MW373.38 g/mol
LogP2.11
Rot. Bonds7

About N-[2-[2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide

N-[2-[2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide (PubChem CID 3324224) has the molecular formula C19H20FN3O4 and a molecular weight of 373.38 g/mol. Its IUPAC name is N-[2-[2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
PubChem CID3324224
Molecular FormulaC19H20FN3O4
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC NameN-[2-[2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
SMILESCOc1ccc(C(C)=NNC(=O)CNC(=O)c2ccccc2F)c(OC)c1
InChIInChI=1S/C19H20FN3O4/c1-12(14-9-8-13(26-2)10-17(14)27-3)22-23-18(24)11-21-19(25)15-6-4-5-7-16(15)20/h4-10H,11H2,1-3H3,(H,21,25)(H,23,24)
InChIKeyGWVNKLVHIPVYIP-UHFFFAOYSA-N
XLogP2.11
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[2-[(2E)-2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 6322344
N-[2-[2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 3805270
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 78596498
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6259144
2-hydroxy-N-[2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3487229
2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9165878
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-2-prop-2-enoxybenzamide
CID 4928995
2-fluoro-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 4200169
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 9316157
N-[2-[[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 18290094
2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide
CID 4507808
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-fluorobenzamide
CID 26694803

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide (CID 3324224) is N-[2-[2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide is COc1ccc(C(C)=NNC(=O)CNC(=O)c2ccccc2F)c(OC)c1.
What is the InChIKey of N-[2-[2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide?
The InChIKey is GWVNKLVHIPVYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4/c1-12(14-9-8-13(26-2)10-17(14)27-3)22-23-18(24)11-21-19(25)15-6-4-5-7-16(15)20/h4-10H,11H2,1-3H3,(H,21,25)(H,23,24).
What are the key properties of N-[2-[2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide?
N-[2-[2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide has a molecular weight of 373.38 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide is sourced from PubChem (CID 3324224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).