N-(4-bromo-2,6-dichlorophenyl)pyrrolidine-2-carboxamide

C11H11BrCl2N2O — CID 43126702

IUPACN-(4-bromo-2,6-dichlorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1c(Cl)cc(Br)cc1Cl)C1CCCN1
InChIInChI=1S/C11H11BrCl2N2O/c12-6-4-7(13)10(8(14)5-6)16-11(17)9-2-1-3-15-9/h4-5,9,15H,1-3H2,(H,16,17)
InChIKeyXLAWXYXNESGCRX-UHFFFAOYSA-N
MW338.03 g/mol
LogP3.45
Rot. Bonds2

About N-(4-bromo-2,6-dichlorophenyl)pyrrolidine-2-carboxamide

N-(4-bromo-2,6-dichlorophenyl)pyrrolidine-2-carboxamide (PubChem CID 43126702) has the molecular formula C11H11BrCl2N2O and a molecular weight of 338.03 g/mol. Its IUPAC name is N-(4-bromo-2,6-dichlorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dichlorophenyl)pyrrolidine-2-carboxamide
PubChem CID43126702
Molecular FormulaC11H11BrCl2N2O
Molecular Weight338.03 g/mol
Exact Mass335.94
IUPAC NameN-(4-bromo-2,6-dichlorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1c(Cl)cc(Br)cc1Cl)C1CCCN1
InChIInChI=1S/C11H11BrCl2N2O/c12-6-4-7(13)10(8(14)5-6)16-11(17)9-2-1-3-15-9/h4-5,9,15H,1-3H2,(H,16,17)
InChIKeyXLAWXYXNESGCRX-UHFFFAOYSA-N
XLogP3.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.03
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(4-bromo-2,6-dichlorophenyl)piperidine-2-carboxamide
CID 28993479
N-(2-chloro-4,6-difluorophenyl)piperidine-2-carboxamide
CID 83087927
N-(3,5-dichloro-4-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 107680422
(2S)-N-(2-chloro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 28881291
(2R)-N-(2-chloro-6-methylphenyl)pyrrolidine-2-carboxamide
CID 104901241
(2R)-N-(2,3,5,6-tetrafluorophenyl)pyrrolidine-2-carboxamide
CID 107641757
(2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide
CID 22691460
(2R)-N-(4-bromo-3-chlorophenyl)piperidine-2-carboxamide
CID 107620300
(2R)-N-(4-bromo-3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 107574285
2-[(4-bromo-2,6-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 60942132
N-(4-bromo-3-chlorophenyl)azepane-2-carboxamide
CID 107620238
(2S)-N-(3-bromo-5-methoxyphenyl)pyrrolidine-2-carboxamide
CID 82867240

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dichlorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(4-bromo-2,6-dichlorophenyl)pyrrolidine-2-carboxamide (CID 43126702) is N-(4-bromo-2,6-dichlorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2,6-dichlorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-bromo-2,6-dichlorophenyl)pyrrolidine-2-carboxamide is O=C(Nc1c(Cl)cc(Br)cc1Cl)C1CCCN1.
What is the InChIKey of N-(4-bromo-2,6-dichlorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is XLAWXYXNESGCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrCl2N2O/c12-6-4-7(13)10(8(14)5-6)16-11(17)9-2-1-3-15-9/h4-5,9,15H,1-3H2,(H,16,17).
What are the key properties of N-(4-bromo-2,6-dichlorophenyl)pyrrolidine-2-carboxamide?
N-(4-bromo-2,6-dichlorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 338.03 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dichlorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 43126702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).