2-(N-acetyl-2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide

C18H18F2N2O4 — CID 113181503

IUPAC2-(N-acetyl-2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C(C)=O)c2c(F)cccc2F)cc1OC
InChIInChI=1S/C18H18F2N2O4/c1-11(23)22(18-13(19)5-4-6-14(18)20)10-17(24)21-12-7-8-15(25-2)16(9-12)26-3/h4-9H,10H2,1-3H3,(H,21,24)
InChIKeyFAOXVYHJXTVYEL-UHFFFAOYSA-N
MW364.35 g/mol
LogP2.97
Rot. Bonds6

About 2-(N-acetyl-2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide

2-(N-acetyl-2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 113181503) has the molecular formula C18H18F2N2O4 and a molecular weight of 364.35 g/mol. Its IUPAC name is 2-(N-acetyl-2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID113181503
Molecular FormulaC18H18F2N2O4
Molecular Weight364.35 g/mol
Exact Mass364.12
IUPAC Name2-(N-acetyl-2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C(C)=O)c2c(F)cccc2F)cc1OC
InChIInChI=1S/C18H18F2N2O4/c1-11(23)22(18-13(19)5-4-6-14(18)20)10-17(24)21-12-7-8-15(25-2)16(9-12)26-3/h4-9H,10H2,1-3H3,(H,21,24)
InChIKeyFAOXVYHJXTVYEL-UHFFFAOYSA-N
XLogP2.97
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-acetylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113167201
2-(N-acetyl-2,3,4-trifluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113181335
2-(N-acetyl-2,6-difluoroanilino)-N-(4-fluorophenyl)acetamide
CID 113181479
2-(N-acetyl-2,6-difluoroanilino)-N-(2-methoxyphenyl)acetamide
CID 113181493
2-(N-acetyl-2,6-difluoroanilino)-N-(3-methylphenyl)acetamide
CID 113181456
2-(N-acetyl-2-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113167396
2-(N-acetyl-2,6-difluoroanilino)-N-[4-(dimethylamino)phenyl]acetamide
CID 113181515
2-(N-acetyl-4-ethylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113169343
2-(N-acetyl-2-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113180763
2-(N-acetyl-2-ethoxyanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113173805
2-[acetyl(quinolin-8-yl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 113178753
2-(N-acetyl-2,6-dichloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113180038

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide (CID 113181503) is 2-(N-acetyl-2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CN(C(C)=O)c2c(F)cccc2F)cc1OC.
What is the InChIKey of 2-(N-acetyl-2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is FAOXVYHJXTVYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O4/c1-11(23)22(18-13(19)5-4-6-14(18)20)10-17(24)21-12-7-8-15(25-2)16(9-12)26-3/h4-9H,10H2,1-3H3,(H,21,24).
What are the key properties of 2-(N-acetyl-2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide?
2-(N-acetyl-2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 364.35 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 113181503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).