N-(2-bromo-3-chlorophenyl)-3-pyrrolidin-3-ylpropanamide

C13H16BrClN2O — CID 103479444

IUPACN-(2-bromo-3-chlorophenyl)-3-pyrrolidin-3-ylpropanamide
SMILESO=C(CCC1CCNC1)Nc1cccc(Cl)c1Br
InChIInChI=1S/C13H16BrClN2O/c14-13-10(15)2-1-3-11(13)17-12(18)5-4-9-6-7-16-8-9/h1-3,9,16H,4-8H2,(H,17,18)
InChIKeyMSPKQBMQXHXZOD-UHFFFAOYSA-N
MW331.64 g/mol
LogP3.43
Rot. Bonds4

About N-(2-bromo-3-chlorophenyl)-3-pyrrolidin-3-ylpropanamide

N-(2-bromo-3-chlorophenyl)-3-pyrrolidin-3-ylpropanamide (PubChem CID 103479444) has the molecular formula C13H16BrClN2O and a molecular weight of 331.64 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-3-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-3-pyrrolidin-3-ylpropanamide
PubChem CID103479444
Molecular FormulaC13H16BrClN2O
Molecular Weight331.64 g/mol
Exact Mass330.01
IUPAC NameN-(2-bromo-3-chlorophenyl)-3-pyrrolidin-3-ylpropanamide
SMILESO=C(CCC1CCNC1)Nc1cccc(Cl)c1Br
InChIInChI=1S/C13H16BrClN2O/c14-13-10(15)2-1-3-11(13)17-12(18)5-4-9-6-7-16-8-9/h1-3,9,16H,4-8H2,(H,17,18)
InChIKeyMSPKQBMQXHXZOD-UHFFFAOYSA-N
XLogP3.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.64
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dichlorophenyl)-3-piperidin-4-ylpropanamide
CID 65468978
N-(4-bromo-2,3-dichlorophenyl)-3-piperidin-3-ylpropanamide
CID 107790274
N-(2-chlorophenyl)-2-(2-pyrrolidin-3-ylethoxy)acetamide
CID 114796128
N-(4-bromo-3,5-dimethylphenyl)-3-pyrrolidin-3-ylpropanamide
CID 107574186
N-(3-aminophenyl)-3-pyrrolidin-3-ylpropanamide
CID 69171945
N-(2,4-dichlorophenyl)-3-piperidin-4-ylpropanamide
CID 62210490
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-bromo-3-chlorophenyl)acetamide
CID 103479368
2-bromo-N-(2-bromo-3-chlorophenyl)acetamide
CID 103478721
5-amino-N-(2-bromo-3-chlorophenyl)pentanamide
CID 103479361
N-(2-methylphenyl)-3-piperidin-4-ylpropanamide
CID 62210327
N-(2,3-dichlorophenyl)-2-piperidin-3-ylacetamide
CID 62675229
4-chloro-3-(3-piperidin-4-ylpropanoylamino)benzoic acid
CID 62210412

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-3-pyrrolidin-3-ylpropanamide?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-3-pyrrolidin-3-ylpropanamide (CID 103479444) is N-(2-bromo-3-chlorophenyl)-3-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-3-pyrrolidin-3-ylpropanamide?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-3-pyrrolidin-3-ylpropanamide is O=C(CCC1CCNC1)Nc1cccc(Cl)c1Br.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-3-pyrrolidin-3-ylpropanamide?
The InChIKey is MSPKQBMQXHXZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O/c14-13-10(15)2-1-3-11(13)17-12(18)5-4-9-6-7-16-8-9/h1-3,9,16H,4-8H2,(H,17,18).
What are the key properties of N-(2-bromo-3-chlorophenyl)-3-pyrrolidin-3-ylpropanamide?
N-(2-bromo-3-chlorophenyl)-3-pyrrolidin-3-ylpropanamide has a molecular weight of 331.64 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-3-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 103479444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).