N-[3-bromo-4-(trifluoromethoxy)phenyl]-2-pyrrolidin-2-ylacetamide

C13H14BrF3N2O2 — CID 107336406

IUPACN-[3-bromo-4-(trifluoromethoxy)phenyl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)Nc1ccc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C13H14BrF3N2O2/c14-10-6-9(3-4-11(10)21-13(15,16)17)19-12(20)7-8-2-1-5-18-8/h3-4,6,8,18H,1-2,5,7H2,(H,19,20)
InChIKeyHKMJVPPUFXSZRL-UHFFFAOYSA-N
MW367.17 g/mol
LogP3.43
Rot. Bonds4

About N-[3-bromo-4-(trifluoromethoxy)phenyl]-2-pyrrolidin-2-ylacetamide

N-[3-bromo-4-(trifluoromethoxy)phenyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 107336406) has the molecular formula C13H14BrF3N2O2 and a molecular weight of 367.17 g/mol. Its IUPAC name is N-[3-bromo-4-(trifluoromethoxy)phenyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[3-bromo-4-(trifluoromethoxy)phenyl]-2-pyrrolidin-2-ylacetamide
PubChem CID107336406
Molecular FormulaC13H14BrF3N2O2
Molecular Weight367.17 g/mol
Exact Mass366.02
IUPAC NameN-[3-bromo-4-(trifluoromethoxy)phenyl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)Nc1ccc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C13H14BrF3N2O2/c14-10-6-9(3-4-11(10)21-13(15,16)17)19-12(20)7-8-2-1-5-18-8/h3-4,6,8,18H,1-2,5,7H2,(H,19,20)
InChIKeyHKMJVPPUFXSZRL-UHFFFAOYSA-N
XLogP3.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.17
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-4-iodophenyl)-2-pyrrolidin-2-ylacetamide
CID 113266600
N-(3-bromo-4-nitrophenyl)-2-pyrrolidin-2-ylacetamide
CID 82864392
N-[3-bromo-4-(trifluoromethoxy)phenyl]-3-(cyclopropylamino)propanamide
CID 107336437
N-(3,4-dimethoxyphenyl)-2-piperidin-2-ylacetamide
CID 43151267
N-(4-bromo-3-nitrophenyl)-2-pyrrolidin-2-ylacetamide
CID 79767852
N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784
N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670651
[3-bromo-4-(trifluoromethoxy)phenyl]carbamic acid
CID 23139549
2-pyrrolidin-2-yl-N-[4-(3,3,3-trifluoropropyl)phenyl]acetamide
CID 119808865
N-(4-chloro-3-fluorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119708349
N-(4-acetamido-3-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119713243
N-[3-(difluoromethoxy)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119786758

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-4-(trifluoromethoxy)phenyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[3-bromo-4-(trifluoromethoxy)phenyl]-2-pyrrolidin-2-ylacetamide (CID 107336406) is N-[3-bromo-4-(trifluoromethoxy)phenyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[3-bromo-4-(trifluoromethoxy)phenyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[3-bromo-4-(trifluoromethoxy)phenyl]-2-pyrrolidin-2-ylacetamide is O=C(CC1CCCN1)Nc1ccc(OC(F)(F)F)c(Br)c1.
What is the InChIKey of N-[3-bromo-4-(trifluoromethoxy)phenyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is HKMJVPPUFXSZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrF3N2O2/c14-10-6-9(3-4-11(10)21-13(15,16)17)19-12(20)7-8-2-1-5-18-8/h3-4,6,8,18H,1-2,5,7H2,(H,19,20).
What are the key properties of N-[3-bromo-4-(trifluoromethoxy)phenyl]-2-pyrrolidin-2-ylacetamide?
N-[3-bromo-4-(trifluoromethoxy)phenyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 367.17 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-4-(trifluoromethoxy)phenyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 107336406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).