2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropanamide

C23H17Cl2F3N2O3 — CID 154646117

IUPAC2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C23H17Cl2F3N2O3/c1-22(2,21(32)30-20-18(25)11-15(12-29-20)23(26,27)28)33-17-9-5-14(6-10-17)19(31)13-3-7-16(24)8-4-13/h3-12H,1-2H3,(H,29,30,32)
InChIKeyIHNFCEYVFIQOBN-UHFFFAOYSA-N
MW497.30 g/mol
LogP6.43
Rot. Bonds6

About 2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropanamide

2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropanamide (PubChem CID 154646117) has the molecular formula C23H17Cl2F3N2O3 and a molecular weight of 497.30 g/mol. Its IUPAC name is 2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropanamide
PubChem CID154646117
Molecular FormulaC23H17Cl2F3N2O3
Molecular Weight497.30 g/mol
Exact Mass496.06
IUPAC Name2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C23H17Cl2F3N2O3/c1-22(2,21(32)30-20-18(25)11-15(12-29-20)23(26,27)28)33-17-9-5-14(6-10-17)19(31)13-3-7-16(24)8-4-13/h3-12H,1-2H3,(H,29,30,32)
InChIKeyIHNFCEYVFIQOBN-UHFFFAOYSA-N
XLogP6.43
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.30
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 2800641
2-[4-(4-chlorobenzoyl)phenoxy]-N-(5-chloro-2-hydroxyphenyl)-2-methylpropanamide
CID 154646082
2-(4-chlorophenoxy)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 982295
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluoro-3-methoxybenzohydrazide
CID 166452044
2-(4-chloro-3-methylphenoxy)-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 171985825
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 143960305
N-(2-aminoethyl)-2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanamide
CID 58219036
2-[4-(4-chlorobenzoyl)phenoxy]-N-(2-hydroxyethyl)-2-methylpropanamide
CID 154646221
2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-(pyridin-4-ylmethyl)propanamide
CID 154646142
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2475003
(4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 3021169
4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzamide
CID 888392

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropanamide?
The IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropanamide (CID 154646117) is 2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropanamide.
What is the SMILES notation for 2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropanamide?
The canonical SMILES for 2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropanamide is CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropanamide?
The InChIKey is IHNFCEYVFIQOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2F3N2O3/c1-22(2,21(32)30-20-18(25)11-15(12-29-20)23(26,27)28)33-17-9-5-14(6-10-17)19(31)13-3-7-16(24)8-4-13/h3-12H,1-2H3,(H,29,30,32).
What are the key properties of 2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropanamide?
2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropanamide has a molecular weight of 497.30 g/mol, XLogP of 6.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 154646117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).