N-(2-bromo-4-chlorophenyl)-3-methylpyrrolidine-2-carboxamide

C12H14BrClN2O — CID 102779794

IUPACN-(2-bromo-4-chlorophenyl)-3-methylpyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C12H14BrClN2O/c1-7-4-5-15-11(7)12(17)16-10-3-2-8(14)6-9(10)13/h2-3,6-7,11,15H,4-5H2,1H3,(H,16,17)
InChIKeyDIQKDHAGVUHEIL-UHFFFAOYSA-N
MW317.61 g/mol
LogP3.04
Rot. Bonds2

About N-(2-bromo-4-chlorophenyl)-3-methylpyrrolidine-2-carboxamide

N-(2-bromo-4-chlorophenyl)-3-methylpyrrolidine-2-carboxamide (PubChem CID 102779794) has the molecular formula C12H14BrClN2O and a molecular weight of 317.61 g/mol. Its IUPAC name is N-(2-bromo-4-chlorophenyl)-3-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-chlorophenyl)-3-methylpyrrolidine-2-carboxamide
PubChem CID102779794
Molecular FormulaC12H14BrClN2O
Molecular Weight317.61 g/mol
Exact Mass316.00
IUPAC NameN-(2-bromo-4-chlorophenyl)-3-methylpyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C12H14BrClN2O/c1-7-4-5-15-11(7)12(17)16-10-3-2-8(14)6-9(10)13/h2-3,6-7,11,15H,4-5H2,1H3,(H,16,17)
InChIKeyDIQKDHAGVUHEIL-UHFFFAOYSA-N
XLogP3.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.61
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-iodophenyl)-3-methylpiperidine-2-carboxamide
CID 107625589
N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-methylpyrrolidine-2-carboxamide
CID 102778104
(2R)-N-(2-bromo-4-chlorophenyl)piperidine-2-carboxamide
CID 104914354
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylpiperidine-2-carboxamide
CID 107067123
N-(2-bromo-4-chlorophenyl)piperidine-3-carboxamide
CID 81263705
3-fluoro-4-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 102779420
N-(2-bromo-4-methyl-5-nitrophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102780033
5-methyl-2-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 102778964
N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777994
N-(2,6-dichlorophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102779613
2-[(2-bromo-4-chlorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391211
2-chloro-6-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 102779465

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chlorophenyl)-3-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-bromo-4-chlorophenyl)-3-methylpyrrolidine-2-carboxamide (CID 102779794) is N-(2-bromo-4-chlorophenyl)-3-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-bromo-4-chlorophenyl)-3-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-bromo-4-chlorophenyl)-3-methylpyrrolidine-2-carboxamide is CC1CCNC1C(=O)Nc1ccc(Cl)cc1Br.
What is the InChIKey of N-(2-bromo-4-chlorophenyl)-3-methylpyrrolidine-2-carboxamide?
The InChIKey is DIQKDHAGVUHEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O/c1-7-4-5-15-11(7)12(17)16-10-3-2-8(14)6-9(10)13/h2-3,6-7,11,15H,4-5H2,1H3,(H,16,17).
What are the key properties of N-(2-bromo-4-chlorophenyl)-3-methylpyrrolidine-2-carboxamide?
N-(2-bromo-4-chlorophenyl)-3-methylpyrrolidine-2-carboxamide has a molecular weight of 317.61 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-chlorophenyl)-3-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102779794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).