N-(2-bromophenyl)-3-methylpyrrolidine-3-carboxamide

C12H15BrN2O — CID 63141111

IUPACN-(2-bromophenyl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)Nc2ccccc2Br)CCNC1
InChIInChI=1S/C12H15BrN2O/c1-12(6-7-14-8-12)11(16)15-10-5-3-2-4-9(10)13/h2-5,14H,6-8H2,1H3,(H,15,16)
InChIKeyVHLQUBGCNMONIF-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.39
Rot. Bonds2

About N-(2-bromophenyl)-3-methylpyrrolidine-3-carboxamide

N-(2-bromophenyl)-3-methylpyrrolidine-3-carboxamide (PubChem CID 63141111) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-methylpyrrolidine-3-carboxamide
PubChem CID63141111
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC NameN-(2-bromophenyl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)Nc2ccccc2Br)CCNC1
InChIInChI=1S/C12H15BrN2O/c1-12(6-7-14-8-12)11(16)15-10-5-3-2-4-9(10)13/h2-5,14H,6-8H2,1H3,(H,15,16)
InChIKeyVHLQUBGCNMONIF-UHFFFAOYSA-N
XLogP2.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670460
3-methyl-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 63141010
3-methyl-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 63141494
N-(5-bromo-2-chlorophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63141919
2-methyl-3-[(3-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63139755
2-chloro-6-[(3-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63723107
N-(2-bromo-5-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 104723664
3-methyl-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-3-carboxamide
CID 63140356
N-(5-bromo-2-methoxyphenyl)-3-methylpyrrolidine-3-carboxamide
CID 63142327
3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 63139606
N-(5-chloro-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63138625
3-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 63132643

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-bromophenyl)-3-methylpyrrolidine-3-carboxamide (CID 63141111) is N-(2-bromophenyl)-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-3-methylpyrrolidine-3-carboxamide is CC1(C(=O)Nc2ccccc2Br)CCNC1.
What is the InChIKey of N-(2-bromophenyl)-3-methylpyrrolidine-3-carboxamide?
The InChIKey is VHLQUBGCNMONIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-12(6-7-14-8-12)11(16)15-10-5-3-2-4-9(10)13/h2-5,14H,6-8H2,1H3,(H,15,16).
What are the key properties of N-(2-bromophenyl)-3-methylpyrrolidine-3-carboxamide?
N-(2-bromophenyl)-3-methylpyrrolidine-3-carboxamide has a molecular weight of 283.17 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63141111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).