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

C22H18F3NO3 — CID 46813370

IUPACN-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-fluorophenyl)acetamide
SMILESCOc1ccc(-c2cc(NC(=O)Cc3ccc(F)cc3)ccc2OC(F)F)cc1
InChIInChI=1S/C22H18F3NO3/c1-28-18-9-4-15(5-10-18)19-13-17(8-11-20(19)29-22(24)25)26-21(27)12-14-2-6-16(23)7-3-14/h2-11,13,22H,12H2,1H3,(H,26,27)
InChIKeySZEAEVYKURJZBK-UHFFFAOYSA-N
MW401.38 g/mol
LogP5.28
Rot. Bonds7

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

N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-fluorophenyl)acetamide (PubChem CID 46813370) has the molecular formula C22H18F3NO3 and a molecular weight of 401.38 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-fluorophenyl)acetamide
PubChem CID46813370
Molecular FormulaC22H18F3NO3
Molecular Weight401.38 g/mol
Exact Mass401.12
IUPAC NameN-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-fluorophenyl)acetamide
SMILESCOc1ccc(-c2cc(NC(=O)Cc3ccc(F)cc3)ccc2OC(F)F)cc1
InChIInChI=1S/C22H18F3NO3/c1-28-18-9-4-15(5-10-18)19-13-17(8-11-20(19)29-22(24)25)26-21(27)12-14-2-6-16(23)7-3-14/h2-11,13,22H,12H2,1H3,(H,26,27)
InChIKeySZEAEVYKURJZBK-UHFFFAOYSA-N
XLogP5.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.38
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-methylbutanamide
CID 24576079
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 24597982
2-(3-fluorophenyl)-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide
CID 8745498
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide
CID 4842173
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-fluoro-4-methoxybenzamide
CID 24513384
(2S)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-[(2-methoxyacetyl)amino]propanamide
CID 51939888
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(4-phenylphenyl)acetamide
CID 46540426
N-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 110776473
1-[(6-chloro-3-pyridinyl)methyl]-3-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]urea
CID 78892694
1-butyl-3-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]thiourea
CID 9213948
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-methylthiophene-2-carboxamide
CID 46674438
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 55369477

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-fluorophenyl)acetamide (CID 46813370) is N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-fluorophenyl)acetamide is COc1ccc(-c2cc(NC(=O)Cc3ccc(F)cc3)ccc2OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is SZEAEVYKURJZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3NO3/c1-28-18-9-4-15(5-10-18)19-13-17(8-11-20(19)29-22(24)25)26-21(27)12-14-2-6-16(23)7-3-14/h2-11,13,22H,12H2,1H3,(H,26,27).
What are the key properties of N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-fluorophenyl)acetamide?
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 401.38 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 46813370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).