2-bromo-N-(4-pyrrolidin-1-ylphenyl)acetamide

C12H15BrN2O — CID 63680073

IUPAC2-bromo-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(CBr)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C12H15BrN2O/c13-9-12(16)14-10-3-5-11(6-4-10)15-7-1-2-8-15/h3-6H,1-2,7-9H2,(H,14,16)
InChIKeyCFBXSJOZZAJMBO-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.62
Rot. Bonds3

About 2-bromo-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-bromo-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 63680073) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 2-bromo-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID63680073
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name2-bromo-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(CBr)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C12H15BrN2O/c13-9-12(16)14-10-3-5-11(6-4-10)15-7-1-2-8-15/h3-6H,1-2,7-9H2,(H,14,16)
InChIKeyCFBXSJOZZAJMBO-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 43701399
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide
CID 112988748
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041751
2-(diethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 51178920
(4-pyrrolidin-1-ylphenyl)carbamic acid
CID 91209465
5-hydroxy-N-(4-pyrrolidin-1-ylphenyl)pentanamide
CID 79199227
N-(4-acetylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108956184
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
2-isocyano-N-(4-piperidin-1-ylphenyl)acetamide
CID 108814796
N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041781
2-(2-aminoethoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 79473221

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-bromo-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 63680073) is 2-bromo-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-bromo-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-bromo-N-(4-pyrrolidin-1-ylphenyl)acetamide is O=C(CBr)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-bromo-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is CFBXSJOZZAJMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c13-9-12(16)14-10-3-5-11(6-4-10)15-7-1-2-8-15/h3-6H,1-2,7-9H2,(H,14,16).
What are the key properties of 2-bromo-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-bromo-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 283.17 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 63680073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).