N-(4-bromophenyl)-2-pyrrolidin-1-ylacetamide

C12H15BrN2O — CID 1091709

IUPACN-(4-bromophenyl)-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O/c13-10-3-5-11(6-4-10)14-12(16)9-15-7-1-2-8-15/h3-6H,1-2,7-9H2,(H,14,16)
InChIKeyZUKYSPWIBXVXME-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.48
Rot. Bonds3

About N-(4-bromophenyl)-2-pyrrolidin-1-ylacetamide

N-(4-bromophenyl)-2-pyrrolidin-1-ylacetamide (PubChem CID 1091709) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-pyrrolidin-1-ylacetamide
PubChem CID1091709
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC NameN-(4-bromophenyl)-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O/c13-10-3-5-11(6-4-10)14-12(16)9-15-7-1-2-8-15/h3-6H,1-2,7-9H2,(H,14,16)
InChIKeyZUKYSPWIBXVXME-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(4-Bromophenyl)pyrrolidin-2-one
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CID 532135
N-(4-fluorophenyl)-2-(pyrrolidin-1-yl)acetamide
CID 934518
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Bromamid
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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(4-bromophenyl)-2-pyrrolidin-1-ylacetamide (CID 1091709) is N-(4-bromophenyl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(4-bromophenyl)-2-pyrrolidin-1-ylacetamide is O=C(CN1CCCC1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is ZUKYSPWIBXVXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c13-10-3-5-11(6-4-10)14-12(16)9-15-7-1-2-8-15/h3-6H,1-2,7-9H2,(H,14,16).
What are the key properties of N-(4-bromophenyl)-2-pyrrolidin-1-ylacetamide?
N-(4-bromophenyl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 283.17 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 1091709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).