2-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(pyridin-4-ylmethyl)butanamide

C17H16ClF3N2O2 — CID 13342513

IUPAC2-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(pyridin-4-ylmethyl)butanamide
SMILESCCC(Oc1ccc(Cl)c(C(F)(F)F)c1)C(=O)NCc1ccncc1
InChIInChI=1S/C17H16ClF3N2O2/c1-2-15(16(24)23-10-11-5-7-22-8-6-11)25-12-3-4-14(18)13(9-12)17(19,20)21/h3-9,15H,2,10H2,1H3,(H,23,24)
InChIKeyNAHVNNQXDIBIGC-UHFFFAOYSA-N
MW372.77 g/mol
LogP4.23
Rot. Bonds6

About 2-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(pyridin-4-ylmethyl)butanamide

2-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(pyridin-4-ylmethyl)butanamide (PubChem CID 13342513) has the molecular formula C17H16ClF3N2O2 and a molecular weight of 372.77 g/mol. Its IUPAC name is 2-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(pyridin-4-ylmethyl)butanamide.

Molecular Properties

Compound Name2-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(pyridin-4-ylmethyl)butanamide
PubChem CID13342513
Molecular FormulaC17H16ClF3N2O2
Molecular Weight372.77 g/mol
Exact Mass372.09
IUPAC Name2-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(pyridin-4-ylmethyl)butanamide
SMILESCCC(Oc1ccc(Cl)c(C(F)(F)F)c1)C(=O)NCc1ccncc1
InChIInChI=1S/C17H16ClF3N2O2/c1-2-15(16(24)23-10-11-5-7-22-8-6-11)25-12-3-4-14(18)13(9-12)17(19,20)21/h3-9,15H,2,10H2,1H3,(H,23,24)
InChIKeyNAHVNNQXDIBIGC-UHFFFAOYSA-N
XLogP4.23
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.77
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-chlorophenoxy)-N-(pyridin-4-ylmethyl)butanamide
CID 7450116
(2S)-2-(3,4-dimethylphenoxy)-N-(pyridin-4-ylmethyl)butanamide
CID 94019548
2-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 13232165
(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-naphthalen-2-yloxybutanamide
CID 92680808
2-(4-chloro-3-methylphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide
CID 53289156
2-(4-chloro-3-methylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53289034
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 99133193
(2R)-2-(4-chloro-3-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 99133250
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(pyridin-4-ylmethyl)butanamide
CID 133210687
N-benzyl-2-(4-chlorophenoxy)butanamide
CID 13232190
2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)butanamide
CID 25252601
(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 9173431

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(pyridin-4-ylmethyl)butanamide?
The IUPAC name of 2-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(pyridin-4-ylmethyl)butanamide (CID 13342513) is 2-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(pyridin-4-ylmethyl)butanamide.
What is the SMILES notation for 2-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(pyridin-4-ylmethyl)butanamide?
The canonical SMILES for 2-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(pyridin-4-ylmethyl)butanamide is CCC(Oc1ccc(Cl)c(C(F)(F)F)c1)C(=O)NCc1ccncc1.
What is the InChIKey of 2-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(pyridin-4-ylmethyl)butanamide?
The InChIKey is NAHVNNQXDIBIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O2/c1-2-15(16(24)23-10-11-5-7-22-8-6-11)25-12-3-4-14(18)13(9-12)17(19,20)21/h3-9,15H,2,10H2,1H3,(H,23,24).
What are the key properties of 2-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(pyridin-4-ylmethyl)butanamide?
2-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(pyridin-4-ylmethyl)butanamide has a molecular weight of 372.77 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(pyridin-4-ylmethyl)butanamide is sourced from PubChem (CID 13342513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).