N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2,3,4-trifluorobenzamide

C19H19F3N2O4 — CID 113061258

IUPACN-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2,3,4-trifluorobenzamide
SMILESCOc1ccc(N(CCNC(=O)c2ccc(F)c(F)c2F)C(C)=O)c(OC)c1
InChIInChI=1S/C19H19F3N2O4/c1-11(25)24(15-7-4-12(27-2)10-16(15)28-3)9-8-23-19(26)13-5-6-14(20)18(22)17(13)21/h4-7,10H,8-9H2,1-3H3,(H,23,26)
InChIKeyUOYIXAKZPOTEPT-UHFFFAOYSA-N
MW396.37 g/mol
LogP2.90
Rot. Bonds7

About N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2,3,4-trifluorobenzamide

N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2,3,4-trifluorobenzamide (PubChem CID 113061258) has the molecular formula C19H19F3N2O4 and a molecular weight of 396.37 g/mol. Its IUPAC name is N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2,3,4-trifluorobenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2,3,4-trifluorobenzamide
PubChem CID113061258
Molecular FormulaC19H19F3N2O4
Molecular Weight396.37 g/mol
Exact Mass396.13
IUPAC NameN-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2,3,4-trifluorobenzamide
SMILESCOc1ccc(N(CCNC(=O)c2ccc(F)c(F)c2F)C(C)=O)c(OC)c1
InChIInChI=1S/C19H19F3N2O4/c1-11(25)24(15-7-4-12(27-2)10-16(15)28-3)9-8-23-19(26)13-5-6-14(20)18(22)17(13)21/h4-7,10H,8-9H2,1-3H3,(H,23,26)
InChIKeyUOYIXAKZPOTEPT-UHFFFAOYSA-N
XLogP2.90
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(N-acetyl-2,3,4-trifluoroanilino)ethyl]-2-methoxybenzamide
CID 113064434
N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-2,3,4-trifluorobenzamide
CID 113057810
N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113061260
N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-phenylacetamide
CID 113061243
N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-3-methylbutanamide
CID 113061222
2-(N-acetyl-2,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113174807
N-(2,4-dimethoxyphenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113061264
N-[2-(N-acetyl-3-chloro-4-fluoroanilino)ethyl]-2,3,4-trifluorobenzamide
CID 113060098
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-fluorophenyl)propanamide
CID 113130144
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2,3,4-trifluorobenzamide
CID 113059125
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide
CID 108540873
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-fluorobenzamide
CID 113061304

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2,3,4-trifluorobenzamide?
The IUPAC name of N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2,3,4-trifluorobenzamide (CID 113061258) is N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2,3,4-trifluorobenzamide.
What is the SMILES notation for N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2,3,4-trifluorobenzamide?
The canonical SMILES for N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2,3,4-trifluorobenzamide is COc1ccc(N(CCNC(=O)c2ccc(F)c(F)c2F)C(C)=O)c(OC)c1.
What is the InChIKey of N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2,3,4-trifluorobenzamide?
The InChIKey is UOYIXAKZPOTEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O4/c1-11(25)24(15-7-4-12(27-2)10-16(15)28-3)9-8-23-19(26)13-5-6-14(20)18(22)17(13)21/h4-7,10H,8-9H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2,3,4-trifluorobenzamide?
N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2,3,4-trifluorobenzamide has a molecular weight of 396.37 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2,3,4-trifluorobenzamide is sourced from PubChem (CID 113061258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).