1-(3-bromophenyl)-5-oxo-N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C16H18BrF3N2O2 — CID 55664552

IUPAC1-(3-bromophenyl)-5-oxo-N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1CC(=O)N(c2cccc(Br)c2)C1
InChIInChI=1S/C16H18BrF3N2O2/c1-2-6-21(10-16(18,19)20)15(24)11-7-14(23)22(9-11)13-5-3-4-12(17)8-13/h3-5,8,11H,2,6-7,9-10H2,1H3
InChIKeyACOBMYOBFOULSG-UHFFFAOYSA-N
MW407.23 g/mol
LogP3.60
Rot. Bonds5

About 1-(3-bromophenyl)-5-oxo-N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

1-(3-bromophenyl)-5-oxo-N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 55664552) has the molecular formula C16H18BrF3N2O2 and a molecular weight of 407.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)-5-oxo-N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-5-oxo-N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID55664552
Molecular FormulaC16H18BrF3N2O2
Molecular Weight407.23 g/mol
Exact Mass406.05
IUPAC Name1-(3-bromophenyl)-5-oxo-N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1CC(=O)N(c2cccc(Br)c2)C1
InChIInChI=1S/C16H18BrF3N2O2/c1-2-6-21(10-16(18,19)20)15(24)11-7-14(23)22(9-11)13-5-3-4-12(17)8-13/h3-5,8,11H,2,6-7,9-10H2,1H3
InChIKeyACOBMYOBFOULSG-UHFFFAOYSA-N
XLogP3.60
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.23
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N-methyl-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55675481
1-(3-bromophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 42952777
N-(3-amino-2,2-dimethylpropyl)-1-(3-bromophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 119656166
1-(3-bromophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 84503378
2-[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid
CID 119194539
(3S)-1-(4-ethylphenyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 9389070
1-(4-ethylphenyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 17081991
1-(3-bromophenyl)-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 90570469
(3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350542
1-(3-bromophenyl)-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide
CID 46581216
1-(3-bromophenyl)-N-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxamide
CID 119037342
1-(3-acetamidophenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 113189037

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-5-oxo-N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-5-oxo-N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 55664552) is 1-(3-bromophenyl)-5-oxo-N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-5-oxo-N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-5-oxo-N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is CCCN(CC(F)(F)F)C(=O)C1CC(=O)N(c2cccc(Br)c2)C1.
What is the InChIKey of 1-(3-bromophenyl)-5-oxo-N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is ACOBMYOBFOULSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrF3N2O2/c1-2-6-21(10-16(18,19)20)15(24)11-7-14(23)22(9-11)13-5-3-4-12(17)8-13/h3-5,8,11H,2,6-7,9-10H2,1H3.
What are the key properties of 1-(3-bromophenyl)-5-oxo-N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
1-(3-bromophenyl)-5-oxo-N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 407.23 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-5-oxo-N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55664552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).