N-(5-fluoro-2-methylphenyl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide

C20H21F4N3O — CID 24615057

IUPACN-(5-fluoro-2-methylphenyl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide
SMILESCc1ccc(F)cc1NC(=O)CNc1cc(C(F)(F)F)ccc1N1CCCC1
InChIInChI=1S/C20H21F4N3O/c1-13-4-6-15(21)11-16(13)26-19(28)12-25-17-10-14(20(22,23)24)5-7-18(17)27-8-2-3-9-27/h4-7,10-11,25H,2-3,8-9,12H2,1H3,(H,26,28)
InChIKeyJVFKRMWUJRSCRJ-UHFFFAOYSA-N
MW395.40 g/mol
LogP4.80
Rot. Bonds5

About N-(5-fluoro-2-methylphenyl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide

N-(5-fluoro-2-methylphenyl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide (PubChem CID 24615057) has the molecular formula C20H21F4N3O and a molecular weight of 395.40 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide
PubChem CID24615057
Molecular FormulaC20H21F4N3O
Molecular Weight395.40 g/mol
Exact Mass395.16
IUPAC NameN-(5-fluoro-2-methylphenyl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide
SMILESCc1ccc(F)cc1NC(=O)CNc1cc(C(F)(F)F)ccc1N1CCCC1
InChIInChI=1S/C20H21F4N3O/c1-13-4-6-15(21)11-16(13)26-19(28)12-25-17-10-14(20(22,23)24)5-7-18(17)27-8-2-3-9-27/h4-7,10-11,25H,2-3,8-9,12H2,1H3,(H,26,28)
InChIKeyJVFKRMWUJRSCRJ-UHFFFAOYSA-N
XLogP4.80
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.40
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119830300
N-(2,4-dimethoxyphenyl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide
CID 24615039
2-(methylamino)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119828236
N-(4-nitrophenyl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide
CID 24615037
2-(3-fluorophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 55380507
N-(1-acetylpiperidin-4-yl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide
CID 78821218
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-(trifluoromethyl)benzamide
CID 113092377
2-(2-methylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 1396653
N-(3-nitrophenyl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide
CID 17494582
methyl 4-oxo-4-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]butanoate
CID 108808751
2-(4-tert-butylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 3632029
2-(4-acetamidophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 16561278

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide (CID 24615057) is N-(5-fluoro-2-methylphenyl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide is Cc1ccc(F)cc1NC(=O)CNc1cc(C(F)(F)F)ccc1N1CCCC1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide?
The InChIKey is JVFKRMWUJRSCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F4N3O/c1-13-4-6-15(21)11-16(13)26-19(28)12-25-17-10-14(20(22,23)24)5-7-18(17)27-8-2-3-9-27/h4-7,10-11,25H,2-3,8-9,12H2,1H3,(H,26,28).
What are the key properties of N-(5-fluoro-2-methylphenyl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide?
N-(5-fluoro-2-methylphenyl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide has a molecular weight of 395.40 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 24615057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).