2-[4-(azepane-1-carbonyl)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide

C22H24F3N3O2 — CID 54834910

IUPAC2-[4-(azepane-1-carbonyl)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNc1ccc(C(=O)N2CCCCCC2)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H24F3N3O2/c23-22(24,25)17-6-5-7-19(14-17)27-20(29)15-26-18-10-8-16(9-11-18)21(30)28-12-3-1-2-4-13-28/h5-11,14,26H,1-4,12-13,15H2,(H,27,29)
InChIKeyOYFACYSYXGVGCR-UHFFFAOYSA-N
MW419.45 g/mol
LogP4.77
Rot. Bonds5

About 2-[4-(azepane-1-carbonyl)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[4-(azepane-1-carbonyl)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 54834910) has the molecular formula C22H24F3N3O2 and a molecular weight of 419.45 g/mol. Its IUPAC name is 2-[4-(azepane-1-carbonyl)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(azepane-1-carbonyl)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID54834910
Molecular FormulaC22H24F3N3O2
Molecular Weight419.45 g/mol
Exact Mass419.18
IUPAC Name2-[4-(azepane-1-carbonyl)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNc1ccc(C(=O)N2CCCCCC2)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H24F3N3O2/c23-22(24,25)17-6-5-7-19(14-17)27-20(29)15-26-18-10-8-16(9-11-18)21(30)28-12-3-1-2-4-13-28/h5-11,14,26H,1-4,12-13,15H2,(H,27,29)
InChIKeyOYFACYSYXGVGCR-UHFFFAOYSA-N
XLogP4.77
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[4-(azepane-1-carbonyl)anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54835179
3-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844480
3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844350
2-[4-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54830576
N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833392
4-(azepane-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 109049168
3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844558
2-[4-(morpholine-4-carbonyl)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54832001
N-[3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide
CID 54834226
2-anilino-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119702402
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841357
N-(4-fluorophenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841618

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azepane-1-carbonyl)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(azepane-1-carbonyl)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 54834910) is 2-[4-(azepane-1-carbonyl)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(azepane-1-carbonyl)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(azepane-1-carbonyl)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CNc1ccc(C(=O)N2CCCCCC2)cc1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[4-(azepane-1-carbonyl)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is OYFACYSYXGVGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O2/c23-22(24,25)17-6-5-7-19(14-17)27-20(29)15-26-18-10-8-16(9-11-18)21(30)28-12-3-1-2-4-13-28/h5-11,14,26H,1-4,12-13,15H2,(H,27,29).
What are the key properties of 2-[4-(azepane-1-carbonyl)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[4-(azepane-1-carbonyl)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 419.45 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azepane-1-carbonyl)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 54834910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).