N-[4-[2-fluoro-4-(methoxymethyl)phenyl]phenyl]-2-(4-fluorophenoxy)-N,2-dimethylpropanamide

C25H25F2NO3 — CID 164531894

IUPACN-[4-[2-fluoro-4-(methoxymethyl)phenyl]phenyl]-2-(4-fluorophenoxy)-N,2-dimethylpropanamide
SMILESCOCc1ccc(-c2ccc(N(C)C(=O)C(C)(C)Oc3ccc(F)cc3)cc2)c(F)c1
InChIInChI=1S/C25H25F2NO3/c1-25(2,31-21-12-8-19(26)9-13-21)24(29)28(3)20-10-6-18(7-11-20)22-14-5-17(16-30-4)15-23(22)27/h5-15H,16H2,1-4H3
InChIKeyCKNBXBLPJADBQO-UHFFFAOYSA-N
MW425.48 g/mol
LogP5.60
Rot. Bonds7

About N-[4-[2-fluoro-4-(methoxymethyl)phenyl]phenyl]-2-(4-fluorophenoxy)-N,2-dimethylpropanamide

N-[4-[2-fluoro-4-(methoxymethyl)phenyl]phenyl]-2-(4-fluorophenoxy)-N,2-dimethylpropanamide (PubChem CID 164531894) has the molecular formula C25H25F2NO3 and a molecular weight of 425.48 g/mol. Its IUPAC name is N-[4-[2-fluoro-4-(methoxymethyl)phenyl]phenyl]-2-(4-fluorophenoxy)-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[2-fluoro-4-(methoxymethyl)phenyl]phenyl]-2-(4-fluorophenoxy)-N,2-dimethylpropanamide
PubChem CID164531894
Molecular FormulaC25H25F2NO3
Molecular Weight425.48 g/mol
Exact Mass425.18
IUPAC NameN-[4-[2-fluoro-4-(methoxymethyl)phenyl]phenyl]-2-(4-fluorophenoxy)-N,2-dimethylpropanamide
SMILESCOCc1ccc(-c2ccc(N(C)C(=O)C(C)(C)Oc3ccc(F)cc3)cc2)c(F)c1
InChIInChI=1S/C25H25F2NO3/c1-25(2,31-21-12-8-19(26)9-13-21)24(29)28(3)20-10-6-18(7-11-20)22-14-5-17(16-30-4)15-23(22)27/h5-15H,16H2,1-4H3
InChIKeyCKNBXBLPJADBQO-UHFFFAOYSA-N
XLogP5.60
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.48
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-2-(4-fluorophenoxy)-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-methylpropanamide
CID 164531898
N-(cyclopropylmethyl)-2-(4-fluorophenoxy)-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-methylpropanamide
CID 164531775
2-[N-[2-(4-fluorophenoxy)-2-methylpropanoyl]-4-[4-(methoxymethyl)phenyl]anilino]butanoic acid
CID 174226898
2-(4-fluorophenoxy)-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylpropanamide
CID 86990942
N-ethyl-2-(4-fluorophenoxy)-N,2-dimethylpropanamide
CID 86927380
propan-2-yl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate
CID 24843423
2-methylpropyl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate
CID 155887634
2-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid
CID 134620292
N-cyclopropyl-2-(4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 78813870
N-[4-[(3-fluorophenyl)methoxy]phenyl]-N,2,2-trimethylpropanamide
CID 112828000
3-methylpentyl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate
CID 24843427
2-(4-fluorophenoxy)-N-[4-(2-hydroxyethyl)phenyl]-2-methylpropanamide
CID 110902168

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-fluoro-4-(methoxymethyl)phenyl]phenyl]-2-(4-fluorophenoxy)-N,2-dimethylpropanamide?
The IUPAC name of N-[4-[2-fluoro-4-(methoxymethyl)phenyl]phenyl]-2-(4-fluorophenoxy)-N,2-dimethylpropanamide (CID 164531894) is N-[4-[2-fluoro-4-(methoxymethyl)phenyl]phenyl]-2-(4-fluorophenoxy)-N,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[2-fluoro-4-(methoxymethyl)phenyl]phenyl]-2-(4-fluorophenoxy)-N,2-dimethylpropanamide?
The canonical SMILES for N-[4-[2-fluoro-4-(methoxymethyl)phenyl]phenyl]-2-(4-fluorophenoxy)-N,2-dimethylpropanamide is COCc1ccc(-c2ccc(N(C)C(=O)C(C)(C)Oc3ccc(F)cc3)cc2)c(F)c1.
What is the InChIKey of N-[4-[2-fluoro-4-(methoxymethyl)phenyl]phenyl]-2-(4-fluorophenoxy)-N,2-dimethylpropanamide?
The InChIKey is CKNBXBLPJADBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2NO3/c1-25(2,31-21-12-8-19(26)9-13-21)24(29)28(3)20-10-6-18(7-11-20)22-14-5-17(16-30-4)15-23(22)27/h5-15H,16H2,1-4H3.
What are the key properties of N-[4-[2-fluoro-4-(methoxymethyl)phenyl]phenyl]-2-(4-fluorophenoxy)-N,2-dimethylpropanamide?
N-[4-[2-fluoro-4-(methoxymethyl)phenyl]phenyl]-2-(4-fluorophenoxy)-N,2-dimethylpropanamide has a molecular weight of 425.48 g/mol, XLogP of 5.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-fluoro-4-(methoxymethyl)phenyl]phenyl]-2-(4-fluorophenoxy)-N,2-dimethylpropanamide is sourced from PubChem (CID 164531894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).