N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide

C15H11ClF3NO2 — CID 4842173

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C15H11ClF3NO2/c16-12-8-11(5-6-13(12)22-15(18)19)20-14(21)7-9-1-3-10(17)4-2-9/h1-6,8,15H,7H2,(H,20,21)
InChIKeyPECYYYJUTVHQOP-UHFFFAOYSA-N
MW329.71 g/mol
LogP4.26
Rot. Bonds5

About N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide (PubChem CID 4842173) has the molecular formula C15H11ClF3NO2 and a molecular weight of 329.71 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide
PubChem CID4842173
Molecular FormulaC15H11ClF3NO2
Molecular Weight329.71 g/mol
Exact Mass329.04
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C15H11ClF3NO2/c16-12-8-11(5-6-13(12)22-15(18)19)20-14(21)7-9-1-3-10(17)4-2-9/h1-6,8,15H,7H2,(H,20,21)
InChIKeyPECYYYJUTVHQOP-UHFFFAOYSA-N
XLogP4.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.71
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78804386
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide
CID 113218222
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 26835965
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 46576758
2-[3-chloro-4-(difluoromethoxy)anilino]-N-(3-fluorophenyl)acetamide
CID 9103360
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 46813370
3-(1,3-benzodioxol-5-yl)-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide
CID 17496748
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide
CID 27286277
3-acetamido-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide
CID 16589515
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(methylamino)butanamide
CID 61258739
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperazin-1-ylacetamide
CID 61259459

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide (CID 4842173) is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is PECYYYJUTVHQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO2/c16-12-8-11(5-6-13(12)22-15(18)19)20-14(21)7-9-1-3-10(17)4-2-9/h1-6,8,15H,7H2,(H,20,21).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 329.71 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 4842173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).