N-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide

C24H22F4N2O — CID 143913112

IUPACN-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
SMILESCc1ccc(N(CCc2ccc(C(F)(F)F)nc2)C(=O)Cc2ccc(F)cc2)cc1C
InChIInChI=1S/C24H22F4N2O/c1-16-3-9-21(13-17(16)2)30(23(31)14-18-4-7-20(25)8-5-18)12-11-19-6-10-22(29-15-19)24(26,27)28/h3-10,13,15H,11-12,14H2,1-2H3
InChIKeyKAQABWRLHIZXAE-UHFFFAOYSA-N
MW430.45 g/mol
LogP5.67
Rot. Bonds6

About N-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide

N-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide (PubChem CID 143913112) has the molecular formula C24H22F4N2O and a molecular weight of 430.45 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
PubChem CID143913112
Molecular FormulaC24H22F4N2O
Molecular Weight430.45 g/mol
Exact Mass430.17
IUPAC NameN-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
SMILESCc1ccc(N(CCc2ccc(C(F)(F)F)nc2)C(=O)Cc2ccc(F)cc2)cc1C
InChIInChI=1S/C24H22F4N2O/c1-16-3-9-21(13-17(16)2)30(23(31)14-18-4-7-20(25)8-5-18)12-11-19-6-10-22(29-15-19)24(26,27)28/h3-10,13,15H,11-12,14H2,1-2H3
InChIKeyKAQABWRLHIZXAE-UHFFFAOYSA-N
XLogP5.67
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.45
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide (CID 143913112) is N-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide is Cc1ccc(N(CCc2ccc(C(F)(F)F)nc2)C(=O)Cc2ccc(F)cc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide?
The InChIKey is KAQABWRLHIZXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F4N2O/c1-16-3-9-21(13-17(16)2)30(23(31)14-18-4-7-20(25)8-5-18)12-11-19-6-10-22(29-15-19)24(26,27)28/h3-10,13,15H,11-12,14H2,1-2H3.
What are the key properties of N-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide?
N-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide has a molecular weight of 430.45 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(4-fluorophenyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide is sourced from PubChem (CID 143913112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).