N-(3-acetylphenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide

C19H20F2N2O3 — CID 2516429

IUPACN-(3-acetylphenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN(C)Cc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C19H20F2N2O3/c1-13(24)15-4-3-5-16(10-15)22-18(25)12-23(2)11-14-6-8-17(9-7-14)26-19(20)21/h3-10,19H,11-12H2,1-2H3,(H,22,25)
InChIKeyAIGKRRXJNVTBQG-UHFFFAOYSA-N
MW362.38 g/mol
LogP3.56
Rot. Bonds8

About N-(3-acetylphenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide

N-(3-acetylphenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide (PubChem CID 2516429) has the molecular formula C19H20F2N2O3 and a molecular weight of 362.38 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
PubChem CID2516429
Molecular FormulaC19H20F2N2O3
Molecular Weight362.38 g/mol
Exact Mass362.14
IUPAC NameN-(3-acetylphenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN(C)Cc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C19H20F2N2O3/c1-13(24)15-4-3-5-16(10-15)22-18(25)12-23(2)11-14-6-8-17(9-7-14)26-19(20)21/h3-10,19H,11-12H2,1-2H3,(H,22,25)
InChIKeyAIGKRRXJNVTBQG-UHFFFAOYSA-N
XLogP3.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide (CID 2516429) is N-(3-acetylphenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide is CC(=O)c1cccc(NC(=O)CN(C)Cc2ccc(OC(F)F)cc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide?
The InChIKey is AIGKRRXJNVTBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O3/c1-13(24)15-4-3-5-16(10-15)22-18(25)12-23(2)11-14-6-8-17(9-7-14)26-19(20)21/h3-10,19H,11-12H2,1-2H3,(H,22,25).
What are the key properties of N-(3-acetylphenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide?
N-(3-acetylphenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide has a molecular weight of 362.38 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide is sourced from PubChem (CID 2516429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).