N-[1-(2-bromophenyl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide

C17H23BrN2O2 — CID 55875729

IUPACN-[1-(2-bromophenyl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
SMILESCC(C)C(=O)N1CCCC1C(=O)NC(C)c1ccccc1Br
InChIInChI=1S/C17H23BrN2O2/c1-11(2)17(22)20-10-6-9-15(20)16(21)19-12(3)13-7-4-5-8-14(13)18/h4-5,7-8,11-12,15H,6,9-10H2,1-3H3,(H,19,21)
InChIKeySRKZPDWGWBVOAZ-UHFFFAOYSA-N
MW367.29 g/mol
LogP3.27
Rot. Bonds4

About N-[1-(2-bromophenyl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide

N-[1-(2-bromophenyl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide (PubChem CID 55875729) has the molecular formula C17H23BrN2O2 and a molecular weight of 367.29 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
PubChem CID55875729
Molecular FormulaC17H23BrN2O2
Molecular Weight367.29 g/mol
Exact Mass366.09
IUPAC NameN-[1-(2-bromophenyl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
SMILESCC(C)C(=O)N1CCCC1C(=O)NC(C)c1ccccc1Br
InChIInChI=1S/C17H23BrN2O2/c1-11(2)17(22)20-10-6-9-15(20)16(21)19-12(3)13-7-4-5-8-14(13)18/h4-5,7-8,11-12,15H,6,9-10H2,1-3H3,(H,19,21)
InChIKeySRKZPDWGWBVOAZ-UHFFFAOYSA-N
XLogP3.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 9220068
N-[1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 18111915
(2R)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 95331095
(2S)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 95331098
2-amino-N-[1-(2-bromophenyl)ethyl]cyclopentane-1-carboxamide
CID 64823134
N-[1-(2-bromophenyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 47030959
(2S)-N-[(1S)-1-(2-bromophenyl)ethyl]piperidine-2-carboxamide
CID 104914385
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 172889076
N-[(1S)-1-(2-bromophenyl)ethyl]azepane-2-carboxamide
CID 81397881
N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide
CID 43701759
(2S)-N-[(1S)-1-(2-bromophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81388252
1-(2-aminopropanoyl)-N-benzhydrylpyrrolidine-2-carboxamide
CID 166861237

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide (CID 55875729) is N-[1-(2-bromophenyl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide is CC(C)C(=O)N1CCCC1C(=O)NC(C)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
The InChIKey is SRKZPDWGWBVOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O2/c1-11(2)17(22)20-10-6-9-15(20)16(21)19-12(3)13-7-4-5-8-14(13)18/h4-5,7-8,11-12,15H,6,9-10H2,1-3H3,(H,19,21).
What are the key properties of N-[1-(2-bromophenyl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
N-[1-(2-bromophenyl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide has a molecular weight of 367.29 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55875729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).