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

C21H17ClF2N2O3 — CID 4845291

IUPAC2-(4-anilinophenoxy)-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
SMILESO=C(COc1ccc(Nc2ccccc2)cc1)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C21H17ClF2N2O3/c22-18-12-16(8-11-19(18)29-21(23)24)26-20(27)13-28-17-9-6-15(7-10-17)25-14-4-2-1-3-5-14/h1-12,21,25H,13H2,(H,26,27)
InChIKeyFPINWQMJULYBCO-UHFFFAOYSA-N
MW418.83 g/mol
LogP5.70
Rot. Bonds8

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

2-(4-anilinophenoxy)-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide (PubChem CID 4845291) has the molecular formula C21H17ClF2N2O3 and a molecular weight of 418.83 g/mol. Its IUPAC name is 2-(4-anilinophenoxy)-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-anilinophenoxy)-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
PubChem CID4845291
Molecular FormulaC21H17ClF2N2O3
Molecular Weight418.83 g/mol
Exact Mass418.09
IUPAC Name2-(4-anilinophenoxy)-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
SMILESO=C(COc1ccc(Nc2ccccc2)cc1)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C21H17ClF2N2O3/c22-18-12-16(8-11-19(18)29-21(23)24)26-20(27)13-28-17-9-6-15(7-10-17)25-14-4-2-1-3-5-14/h1-12,21,25H,13H2,(H,26,27)
InChIKeyFPINWQMJULYBCO-UHFFFAOYSA-N
XLogP5.70
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.83
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 7942948
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
4-(2-anilino-2-oxoethoxy)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 1191645
N-(3-chloro-4-fluorophenyl)-2-phenoxyacetamide
CID 924892
2-benzylsulfanyl-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 16527789
[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate
CID 46789518
N-(3,4-dichlorophenyl)-2-(4-phenoxyphenoxy)acetamide
CID 2319916
N-(4-anilinophenyl)-2-(4-phenylphenoxy)acetamide
CID 4511463
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(methylamino)butanamide
CID 61258739
2-[3-chloro-4-(difluoromethoxy)anilino]-N-(3-fluorophenyl)acetamide
CID 9103360
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78804386
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide
CID 4842173

Frequently Asked Questions

What is the IUPAC name of 2-(4-anilinophenoxy)-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(4-anilinophenoxy)-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide (CID 4845291) is 2-(4-anilinophenoxy)-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-anilinophenoxy)-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-anilinophenoxy)-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide is O=C(COc1ccc(Nc2ccccc2)cc1)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of 2-(4-anilinophenoxy)-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide?
The InChIKey is FPINWQMJULYBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF2N2O3/c22-18-12-16(8-11-19(18)29-21(23)24)26-20(27)13-28-17-9-6-15(7-10-17)25-14-4-2-1-3-5-14/h1-12,21,25H,13H2,(H,26,27).
What are the key properties of 2-(4-anilinophenoxy)-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide?
2-(4-anilinophenoxy)-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide has a molecular weight of 418.83 g/mol, XLogP of 5.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-anilinophenoxy)-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 4845291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).