N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,5-dimethoxyphenyl)acetamide

C17H16ClF2NO4 — CID 78804386

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1
InChIInChI=1S/C17H16ClF2NO4/c1-23-12-4-6-14(24-2)10(7-12)8-16(22)21-11-3-5-15(13(18)9-11)25-17(19)20/h3-7,9,17H,8H2,1-2H3,(H,21,22)
InChIKeyQLLYWNNOVBUQBW-UHFFFAOYSA-N
MW371.77 g/mol
LogP4.14
Rot. Bonds7

About N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,5-dimethoxyphenyl)acetamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,5-dimethoxyphenyl)acetamide (PubChem CID 78804386) has the molecular formula C17H16ClF2NO4 and a molecular weight of 371.77 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,5-dimethoxyphenyl)acetamide
PubChem CID78804386
Molecular FormulaC17H16ClF2NO4
Molecular Weight371.77 g/mol
Exact Mass371.07
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1
InChIInChI=1S/C17H16ClF2NO4/c1-23-12-4-6-14(24-2)10(7-12)8-16(22)21-11-3-5-15(13(18)9-11)25-17(19)20/h3-7,9,17H,8H2,1-2H3,(H,21,22)
InChIKeyQLLYWNNOVBUQBW-UHFFFAOYSA-N
XLogP4.14
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.77
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)acetamide
CID 78804409
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide
CID 4842173
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 92670451
2-(2,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)acetamide
CID 78804402
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
N-[4-(difluoromethoxy)phenyl]-2-(2,4-dimethoxyphenyl)acetamide
CID 9427797
2-(2,4-dichlorophenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide
CID 55539749
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3,4-dimethoxyphenyl)urea
CID 1297847
2-(2,5-dimethoxyphenyl)-N-naphthalen-2-ylacetamide
CID 78804408
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(methylamino)butanamide
CID 61258739
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide
CID 113218222
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(2,4-dimethoxyphenyl)acetamide
CID 18205374

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,5-dimethoxyphenyl)acetamide (CID 78804386) is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,5-dimethoxyphenyl)acetamide is COc1ccc(OC)c(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is QLLYWNNOVBUQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2NO4/c1-23-12-4-6-14(24-2)10(7-12)8-16(22)21-11-3-5-15(13(18)9-11)25-17(19)20/h3-7,9,17H,8H2,1-2H3,(H,21,22).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,5-dimethoxyphenyl)acetamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 371.77 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 78804386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).