N-acetyl-N-[2,4-bis[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide

C23H14F8N2O4 — CID 139917696

IUPACN-acetyl-N-[2,4-bis[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide
SMILESCC(=O)N(C(C)=O)c1c(Oc2ccc(F)c(C(F)(F)F)c2)ccnc1Oc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C23H14F8N2O4/c1-11(34)33(12(2)35)20-19(36-13-3-5-17(24)15(9-13)22(26,27)28)7-8-32-21(20)37-14-4-6-18(25)16(10-14)23(29,30)31/h3-10H,1-2H3
InChIKeyKNNZSVMDJKWNRM-UHFFFAOYSA-N
MW534.36 g/mol
LogP6.88
Rot. Bonds5

About N-acetyl-N-[2,4-bis[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide

N-acetyl-N-[2,4-bis[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide (PubChem CID 139917696) has the molecular formula C23H14F8N2O4 and a molecular weight of 534.36 g/mol. Its IUPAC name is N-acetyl-N-[2,4-bis[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[2,4-bis[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide
PubChem CID139917696
Molecular FormulaC23H14F8N2O4
Molecular Weight534.36 g/mol
Exact Mass534.08
IUPAC NameN-acetyl-N-[2,4-bis[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide
SMILESCC(=O)N(C(C)=O)c1c(Oc2ccc(F)c(C(F)(F)F)c2)ccnc1Oc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C23H14F8N2O4/c1-11(34)33(12(2)35)20-19(36-13-3-5-17(24)15(9-13)22(26,27)28)7-8-32-21(20)37-14-4-6-18(25)16(10-14)23(29,30)31/h3-10H,1-2H3
InChIKeyKNNZSVMDJKWNRM-UHFFFAOYSA-N
XLogP6.88
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.36
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[2,4-bis[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanimidate
CID 139917700
4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]-N,N-dimethylpyrimidin-5-amine
CID 139845121
4-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 102747015
4-(chloromethyl)-3-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine
CID 102747282
3-amino-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile
CID 102746886
2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidine-4-carboxylic acid
CID 107555049
4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-methylsulfanylpyrimidine
CID 67661500
5-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 102746895
5-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 102747023
1-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-methylmethanamine
CID 102747370
4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-5-methylpyrimidine;4,6-dichloro-5-methylpyrimidine
CID 157081646
5-ethyl-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 102747880

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[2,4-bis[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide?
The IUPAC name of N-acetyl-N-[2,4-bis[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide (CID 139917696) is N-acetyl-N-[2,4-bis[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide.
What is the SMILES notation for N-acetyl-N-[2,4-bis[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide?
The canonical SMILES for N-acetyl-N-[2,4-bis[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide is CC(=O)N(C(C)=O)c1c(Oc2ccc(F)c(C(F)(F)F)c2)ccnc1Oc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of N-acetyl-N-[2,4-bis[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide?
The InChIKey is KNNZSVMDJKWNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F8N2O4/c1-11(34)33(12(2)35)20-19(36-13-3-5-17(24)15(9-13)22(26,27)28)7-8-32-21(20)37-14-4-6-18(25)16(10-14)23(29,30)31/h3-10H,1-2H3.
What are the key properties of N-acetyl-N-[2,4-bis[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide?
N-acetyl-N-[2,4-bis[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide has a molecular weight of 534.36 g/mol, XLogP of 6.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[2,4-bis[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide is sourced from PubChem (CID 139917696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).