N-[1-(2-bromophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide

C14H19BrN2O — CID 102777686

IUPACN-[1-(2-bromophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1NCCC1C)c1ccccc1Br
InChIInChI=1S/C14H19BrN2O/c1-9-7-8-16-13(9)14(18)17-10(2)11-5-3-4-6-12(11)15/h3-6,9-10,13,16H,7-8H2,1-2H3,(H,17,18)
InChIKeyDEPCYTKMQBRACI-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.62
Rot. Bonds3

About N-[1-(2-bromophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide

N-[1-(2-bromophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide (PubChem CID 102777686) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide
PubChem CID102777686
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-[1-(2-bromophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1NCCC1C)c1ccccc1Br
InChIInChI=1S/C14H19BrN2O/c1-9-7-8-16-13(9)14(18)17-10(2)11-5-3-4-6-12(11)15/h3-6,9-10,13,16H,7-8H2,1-2H3,(H,17,18)
InChIKeyDEPCYTKMQBRACI-UHFFFAOYSA-N
XLogP2.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(2-bromophenyl)ethyl]-3-methylpiperidine-2-carboxamide
CID 107068435
3-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide
CID 102779169
N-[(1R)-1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 9220068
N-[1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 18111915
N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide
CID 43701759
(2S)-N-[(1S)-1-(2-bromophenyl)ethyl]piperidine-2-carboxamide
CID 104914385
N-[(1S)-1-(2-bromophenyl)ethyl]azepane-2-carboxamide
CID 81397881
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methylpyrrolidine-2-carboxamide
CID 102779269
(1S,6R)-6-[[(1S)-1-(2-bromophenyl)ethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 103881146
N-[1-(1-benzofuran-2-yl)ethyl]-3-methylpyrrolidine-2-carboxamide
CID 102778029
2-amino-N-[1-(2-bromophenyl)ethyl]cyclopentane-1-carboxamide
CID 64823134
(2S)-N-[(1S)-1-(2-bromophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81388252

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide (CID 102777686) is N-[1-(2-bromophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide is CC(NC(=O)C1NCCC1C)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide?
The InChIKey is DEPCYTKMQBRACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-9-7-8-16-13(9)14(18)17-10(2)11-5-3-4-6-12(11)15/h3-6,9-10,13,16H,7-8H2,1-2H3,(H,17,18).
What are the key properties of N-[1-(2-bromophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide?
N-[1-(2-bromophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102777686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).