2-(3-bromo-2-fluorophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide

C19H17BrF4N2O — CID 146025161

IUPAC2-(3-bromo-2-fluorophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(Br)c1F)Nc1cc(C(F)(F)F)ccc1N1CCCC1
InChIInChI=1S/C19H17BrF4N2O/c20-14-5-3-4-12(18(14)21)10-17(27)25-15-11-13(19(22,23)24)6-7-16(15)26-8-1-2-9-26/h3-7,11H,1-2,8-10H2,(H,25,27)
InChIKeyZGTOVQYHFREWSW-UHFFFAOYSA-N
MW445.25 g/mol
LogP5.39
Rot. Bonds4

About 2-(3-bromo-2-fluorophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide

2-(3-bromo-2-fluorophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 146025161) has the molecular formula C19H17BrF4N2O and a molecular weight of 445.25 g/mol. Its IUPAC name is 2-(3-bromo-2-fluorophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-bromo-2-fluorophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
PubChem CID146025161
Molecular FormulaC19H17BrF4N2O
Molecular Weight445.25 g/mol
Exact Mass444.05
IUPAC Name2-(3-bromo-2-fluorophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(Br)c1F)Nc1cc(C(F)(F)F)ccc1N1CCCC1
InChIInChI=1S/C19H17BrF4N2O/c20-14-5-3-4-12(18(14)21)10-17(27)25-15-11-13(19(22,23)24)6-7-16(15)26-8-1-2-9-26/h3-7,11H,1-2,8-10H2,(H,25,27)
InChIKeyZGTOVQYHFREWSW-UHFFFAOYSA-N
XLogP5.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.25
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 55380507
2-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 4028135
2-(4-acetamidophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 16561278
2-(4-aminophenyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119828224
2-(methylamino)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119830300
2-(methylamino)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119828236
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 24554961
methyl 4-oxo-4-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]butanoate
CID 108808751
2-(2-methoxyphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 7581490
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-quinolin-8-yloxyacetamide
CID 2461519
1-(furan-3-ylmethyl)-3-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]urea
CID 47039016
2-(4-tert-butylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 3632029

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-fluorophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-bromo-2-fluorophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide (CID 146025161) is 2-(3-bromo-2-fluorophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-bromo-2-fluorophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-bromo-2-fluorophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide is O=C(Cc1cccc(Br)c1F)Nc1cc(C(F)(F)F)ccc1N1CCCC1.
What is the InChIKey of 2-(3-bromo-2-fluorophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ZGTOVQYHFREWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrF4N2O/c20-14-5-3-4-12(18(14)21)10-17(27)25-15-11-13(19(22,23)24)6-7-16(15)26-8-1-2-9-26/h3-7,11H,1-2,8-10H2,(H,25,27).
What are the key properties of 2-(3-bromo-2-fluorophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
2-(3-bromo-2-fluorophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 445.25 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-fluorophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 146025161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).