trans-(1R,2R)-2-(4-bromophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide

C17H21BrN2O2 — CID 52528149

IUPACtrans-(1R,2R)-2-(4-bromophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
SMILESCN(CC(=O)N1CCCC1)C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C17H21BrN2O2/c1-19(11-16(21)20-8-2-3-9-20)17(22)15-10-14(15)12-4-6-13(18)7-5-12/h4-7,14-15H,2-3,8-11H2,1H3/t14-,15+/m0/s1
InChIKeySDSVSIJUBWJCGD-LSDHHAIUSA-N
MW365.27 g/mol
LogP2.63
Rot. Bonds4

About trans-(1R,2R)-2-(4-bromophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide

trans-(1R,2R)-2-(4-bromophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide (PubChem CID 52528149) has the molecular formula C17H21BrN2O2 and a molecular weight of 365.27 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-bromophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-bromophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
PubChem CID52528149
Molecular FormulaC17H21BrN2O2
Molecular Weight365.27 g/mol
Exact Mass364.08
IUPAC Nametrans-(1R,2R)-2-(4-bromophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
SMILESCN(CC(=O)N1CCCC1)C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C17H21BrN2O2/c1-19(11-16(21)20-8-2-3-9-20)17(22)15-10-14(15)12-4-6-13(18)7-5-12/h4-7,14-15H,2-3,8-11H2,1H3/t14-,15+/m0/s1
InChIKeySDSVSIJUBWJCGD-LSDHHAIUSA-N
XLogP2.63
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-(4-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
CID 95595198
[(1S,2S)-2-(4-bromophenyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 66796086
1-(azepan-1-yl)-2-[(4-bromophenyl)methyl-methylamino]ethanone
CID 78791393
2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 60948599
trans-(1R,2R)-2-(4-bromophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 15141054
5-amino-N,2,4-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
CID 102706607
2-[[2-(4-bromophenyl)cyclopropanecarbonyl]-methylamino]propanoic acid
CID 119209516
cis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 94815781
N,2-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 79389017
(2S)-2-(4-bromophenoxy)-N,3-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide
CID 52514133
trans-(1R,2R)-2-(4-bromophenyl)-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methylcyclopropane-1-carboxamide
CID 166263231
1-[2-(4-bromophenyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid
CID 119166718

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-bromophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(4-bromophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide (CID 52528149) is trans-(1R,2R)-2-(4-bromophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(4-bromophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(4-bromophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide is CN(CC(=O)N1CCCC1)C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1.
What is the InChIKey of trans-(1R,2R)-2-(4-bromophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide?
The InChIKey is SDSVSIJUBWJCGD-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H21BrN2O2/c1-19(11-16(21)20-8-2-3-9-20)17(22)15-10-14(15)12-4-6-13(18)7-5-12/h4-7,14-15H,2-3,8-11H2,1H3/t14-,15+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(4-bromophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(4-bromophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide has a molecular weight of 365.27 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(4-bromophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 52528149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).