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

C19H21FN2O4 — CID 113061304

IUPACN-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-fluorobenzamide
SMILESCOc1ccc(N(CCNC(=O)c2ccccc2F)C(C)=O)cc1OC
InChIInChI=1S/C19H21FN2O4/c1-13(23)22(14-8-9-17(25-2)18(12-14)26-3)11-10-21-19(24)15-6-4-5-7-16(15)20/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeyLFYLYVZSVYAGKD-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.63
Rot. Bonds7

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

N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-fluorobenzamide (PubChem CID 113061304) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-fluorobenzamide
PubChem CID113061304
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC NameN-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-fluorobenzamide
SMILESCOc1ccc(N(CCNC(=O)c2ccccc2F)C(C)=O)cc1OC
InChIInChI=1S/C19H21FN2O4/c1-13(23)22(14-8-9-17(25-2)18(12-14)26-3)11-10-21-19(24)15-6-4-5-7-16(15)20/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeyLFYLYVZSVYAGKD-UHFFFAOYSA-N
XLogP2.63
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-methoxybenzamide
CID 113064615
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3,4-dimethoxybenzamide
CID 113064623
methyl 3-[acetyl-[2-[(2-fluorobenzoyl)amino]ethyl]amino]benzoate
CID 113061958
N-[2-(N-acetyl-4-bromo-3-methylanilino)ethyl]-2-fluorobenzamide
CID 113062914
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113061315
N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-methoxybenzamide
CID 113059627
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3,4-dimethylbenzamide
CID 113061310
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2,6-dimethoxybenzamide
CID 113064620
3-(N-acetyl-3,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113130221
tert-butyl N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]carbamate
CID 113061339
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3-methylbutanamide
CID 113061293
N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-2-fluorobenzamide
CID 113058782

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-fluorobenzamide (CID 113061304) is N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-fluorobenzamide is COc1ccc(N(CCNC(=O)c2ccccc2F)C(C)=O)cc1OC.
What is the InChIKey of N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-fluorobenzamide?
The InChIKey is LFYLYVZSVYAGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-13(23)22(14-8-9-17(25-2)18(12-14)26-3)11-10-21-19(24)15-6-4-5-7-16(15)20/h4-9,12H,10-11H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-fluorobenzamide?
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-fluorobenzamide has a molecular weight of 360.39 g/mol, XLogP of 2.63, 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-3,4-dimethoxyanilino)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 113061304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).