N-[2-[2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(trifluoromethyl)benzamide

C19H18F3N3O4 — CID 2046580

IUPACN-[2-[2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(trifluoromethyl)benzamide
SMILESCOc1cccc(C=NNC(=O)CNC(=O)c2ccccc2C(F)(F)F)c1OC
InChIInChI=1S/C19H18F3N3O4/c1-28-15-9-5-6-12(17(15)29-2)10-24-25-16(26)11-23-18(27)13-7-3-4-8-14(13)19(20,21)22/h3-10H,11H2,1-2H3,(H,23,27)(H,25,26)
InChIKeyXFSOGPGVMZWYDV-UHFFFAOYSA-N
MW409.36 g/mol
LogP2.60
Rot. Bonds7

About N-[2-[2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(trifluoromethyl)benzamide

N-[2-[2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(trifluoromethyl)benzamide (PubChem CID 2046580) has the molecular formula C19H18F3N3O4 and a molecular weight of 409.36 g/mol. Its IUPAC name is N-[2-[2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(trifluoromethyl)benzamide
PubChem CID2046580
Molecular FormulaC19H18F3N3O4
Molecular Weight409.36 g/mol
Exact Mass409.12
IUPAC NameN-[2-[2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(trifluoromethyl)benzamide
SMILESCOc1cccc(C=NNC(=O)CNC(=O)c2ccccc2C(F)(F)F)c1OC
InChIInChI=1S/C19H18F3N3O4/c1-28-15-9-5-6-12(17(15)29-2)10-24-25-16(26)11-23-18(27)13-7-3-4-8-14(13)19(20,21)22/h3-10H,11H2,1-2H3,(H,23,27)(H,25,26)
InChIKeyXFSOGPGVMZWYDV-UHFFFAOYSA-N
XLogP2.60
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.36
LogP ≤ 52.60
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-[2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 3986823
2-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 5020852
N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 4661365
2-methoxy-N-[2-[2-[(2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4007452
N-[2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 5063560
[2-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 5474234
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 6911040
N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 135648147
N-[2-[2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 3630521
4-[(E)-[[2-[(2-methoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 6895010
2-chloro-N-[2-oxo-2-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 6007933
4-[[[2-[(2-methoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 2195688

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(trifluoromethyl)benzamide (CID 2046580) is N-[2-[2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(trifluoromethyl)benzamide is COc1cccc(C=NNC(=O)CNC(=O)c2ccccc2C(F)(F)F)c1OC.
What is the InChIKey of N-[2-[2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is XFSOGPGVMZWYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O4/c1-28-15-9-5-6-12(17(15)29-2)10-24-25-16(26)11-23-18(27)13-7-3-4-8-14(13)19(20,21)22/h3-10H,11H2,1-2H3,(H,23,27)(H,25,26).
What are the key properties of N-[2-[2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(trifluoromethyl)benzamide?
N-[2-[2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 409.36 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 2046580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).