N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3,4-dimethoxybenzamide

C19H20F2N2O4 — CID 113064623

IUPACN-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCN(C(C)=O)c2ccc(F)c(F)c2)cc1OC
InChIInChI=1S/C19H20F2N2O4/c1-12(24)23(14-5-6-15(20)16(21)11-14)9-8-22-19(25)13-4-7-17(26-2)18(10-13)27-3/h4-7,10-11H,8-9H2,1-3H3,(H,22,25)
InChIKeyLRQFRYHYWUSPMN-UHFFFAOYSA-N
MW378.38 g/mol
LogP2.76
Rot. Bonds7

About N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3,4-dimethoxybenzamide

N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3,4-dimethoxybenzamide (PubChem CID 113064623) has the molecular formula C19H20F2N2O4 and a molecular weight of 378.38 g/mol. Its IUPAC name is N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3,4-dimethoxybenzamide
PubChem CID113064623
Molecular FormulaC19H20F2N2O4
Molecular Weight378.38 g/mol
Exact Mass378.14
IUPAC NameN-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCN(C(C)=O)c2ccc(F)c(F)c2)cc1OC
InChIInChI=1S/C19H20F2N2O4/c1-12(24)23(14-5-6-15(20)16(21)11-14)9-8-22-19(25)13-4-7-17(26-2)18(10-13)27-3/h4-7,10-11H,8-9H2,1-3H3,(H,22,25)
InChIKeyLRQFRYHYWUSPMN-UHFFFAOYSA-N
XLogP2.76
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-methoxybenzamide
CID 113064615
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-3,4-difluorobenzamide
CID 113059331
N-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-4-chlorobenzamide
CID 113060236
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-fluorobenzamide
CID 113061304
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-fluorobenzamide
CID 113064610
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113064642
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-bromobenzamide
CID 113064613
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3,4-difluorobenzamide
CID 113062649
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-3,4-difluorobenzamide
CID 113063065
N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]-3,4-difluorobenzamide
CID 113061115

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3,4-dimethoxybenzamide (CID 113064623) is N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCCN(C(C)=O)c2ccc(F)c(F)c2)cc1OC.
What is the InChIKey of N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3,4-dimethoxybenzamide?
The InChIKey is LRQFRYHYWUSPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O4/c1-12(24)23(14-5-6-15(20)16(21)11-14)9-8-22-19(25)13-4-7-17(26-2)18(10-13)27-3/h4-7,10-11H,8-9H2,1-3H3,(H,22,25).
What are the key properties of N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3,4-dimethoxybenzamide?
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3,4-dimethoxybenzamide has a molecular weight of 378.38 g/mol, XLogP of 2.76, 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-difluoroanilino)ethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 113064623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).