N-(5-bromo-2-chlorophenyl)-3-methylpyrrolidine-3-carboxamide

C12H14BrClN2O — CID 63141919

IUPACN-(5-bromo-2-chlorophenyl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)Nc2cc(Br)ccc2Cl)CCNC1
InChIInChI=1S/C12H14BrClN2O/c1-12(4-5-15-7-12)11(17)16-10-6-8(13)2-3-9(10)14/h2-3,6,15H,4-5,7H2,1H3,(H,16,17)
InChIKeyOVJLLASJILBTLR-UHFFFAOYSA-N
MW317.61 g/mol
LogP3.04
Rot. Bonds2

About N-(5-bromo-2-chlorophenyl)-3-methylpyrrolidine-3-carboxamide

N-(5-bromo-2-chlorophenyl)-3-methylpyrrolidine-3-carboxamide (PubChem CID 63141919) has the molecular formula C12H14BrClN2O and a molecular weight of 317.61 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-3-methylpyrrolidine-3-carboxamide
PubChem CID63141919
Molecular FormulaC12H14BrClN2O
Molecular Weight317.61 g/mol
Exact Mass316.00
IUPAC NameN-(5-bromo-2-chlorophenyl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)Nc2cc(Br)ccc2Cl)CCNC1
InChIInChI=1S/C12H14BrClN2O/c1-12(4-5-15-7-12)11(17)16-10-6-8(13)2-3-9(10)14/h2-3,6,15H,4-5,7H2,1H3,(H,16,17)
InChIKeyOVJLLASJILBTLR-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-(5-bromo-2-methoxyphenyl)-3-methylpyrrolidine-3-carboxamide
CID 63142327
N-(2-bromo-5-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 104723664
N-(5-chloro-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63138625
N-(3,4-dichlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119670891
N-(4-bromo-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
CID 63121522
N-(2-bromophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63141111
N-(6-chloro-1,3-benzodioxol-5-yl)-3-methylpyrrolidine-3-carboxamide
CID 55164754
2-chloro-6-[(3-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63723107
N-(3-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 63140585
N-(4-bromo-2-ethylphenyl)-4-methylpiperidine-4-carboxamide
CID 81291548
N-(4-acetamido-3-chlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119700277
methyl 4-chloro-2-[(3-methylpyrrolidine-3-carbonyl)amino]benzoate
CID 63139636

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-3-methylpyrrolidine-3-carboxamide (CID 63141919) is N-(5-bromo-2-chlorophenyl)-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-3-methylpyrrolidine-3-carboxamide is CC1(C(=O)Nc2cc(Br)ccc2Cl)CCNC1.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-3-methylpyrrolidine-3-carboxamide?
The InChIKey is OVJLLASJILBTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O/c1-12(4-5-15-7-12)11(17)16-10-6-8(13)2-3-9(10)14/h2-3,6,15H,4-5,7H2,1H3,(H,16,17).
What are the key properties of N-(5-bromo-2-chlorophenyl)-3-methylpyrrolidine-3-carboxamide?
N-(5-bromo-2-chlorophenyl)-3-methylpyrrolidine-3-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-(5-bromo-2-chlorophenyl)-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63141919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).