N-[3-(2,2-difluoroethylamino)-4-methoxyphenyl]acetamide

C11H14F2N2O2 — CID 154366600

IUPACN-[3-(2,2-difluoroethylamino)-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NCC(F)F
InChIInChI=1S/C11H14F2N2O2/c1-7(16)15-8-3-4-10(17-2)9(5-8)14-6-11(12)13/h3-5,11,14H,6H2,1-2H3,(H,15,16)
InChIKeyWJUYUUKEAUEEJD-UHFFFAOYSA-N
MW244.24 g/mol
LogP2.33
Rot. Bonds5

About N-[3-(2,2-difluoroethylamino)-4-methoxyphenyl]acetamide

N-[3-(2,2-difluoroethylamino)-4-methoxyphenyl]acetamide (PubChem CID 154366600) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is N-[3-(2,2-difluoroethylamino)-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2,2-difluoroethylamino)-4-methoxyphenyl]acetamide
PubChem CID154366600
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC NameN-[3-(2,2-difluoroethylamino)-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NCC(F)F
InChIInChI=1S/C11H14F2N2O2/c1-7(16)15-8-3-4-10(17-2)9(5-8)14-6-11(12)13/h3-5,11,14H,6H2,1-2H3,(H,15,16)
InChIKeyWJUYUUKEAUEEJD-UHFFFAOYSA-N
XLogP2.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-acetamido-2-methoxyanilino)ethyl methyl carbonate
CID 54064584
3-(5-acetamido-2-methoxyanilino)propanoic acid
CID 54299266
2-(5-acetamido-2-methoxyanilino)butanoic acid
CID 115352715
N-[3-[(3-fluorophenyl)methylamino]-4-methoxyphenyl]acetamide
CID 24583317
N-[3-(2,2-dihydroxyethylamino)-4-ethoxyphenyl]acetamide
CID 21453600
N-[4-methoxy-3-(4-methylsulfanylbutylamino)phenyl]acetamide
CID 103087563
2-(5-acetamido-2-fluoroanilino)-N-(5-acetamido-2-methoxyphenyl)acetamide
CID 37279177
N-(5-acetamido-2-methoxyphenyl)-3-amino-2-methylpropanamide
CID 62671021
N-[3-[[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]amino]-4-methoxyphenyl]acetamide
CID 55893747
N-[3-[[(2S,3S)-4-hydroxy-3-methylbutan-2-yl]carbamoylamino]-4-methoxyphenyl]acetamide
CID 95775570
N-(5-acetamido-2-methoxyphenyl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 33178137
2-(5-acetamido-2-methoxyanilino)-N-[bis(4-methoxyphenyl)methyl]acetamide
CID 55437408

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-difluoroethylamino)-4-methoxyphenyl]acetamide?
The IUPAC name of N-[3-(2,2-difluoroethylamino)-4-methoxyphenyl]acetamide (CID 154366600) is N-[3-(2,2-difluoroethylamino)-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-(2,2-difluoroethylamino)-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-(2,2-difluoroethylamino)-4-methoxyphenyl]acetamide is COc1ccc(NC(C)=O)cc1NCC(F)F.
What is the InChIKey of N-[3-(2,2-difluoroethylamino)-4-methoxyphenyl]acetamide?
The InChIKey is WJUYUUKEAUEEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-7(16)15-8-3-4-10(17-2)9(5-8)14-6-11(12)13/h3-5,11,14H,6H2,1-2H3,(H,15,16).
What are the key properties of N-[3-(2,2-difluoroethylamino)-4-methoxyphenyl]acetamide?
N-[3-(2,2-difluoroethylamino)-4-methoxyphenyl]acetamide has a molecular weight of 244.24 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-difluoroethylamino)-4-methoxyphenyl]acetamide is sourced from PubChem (CID 154366600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).