1-(2,5-dibromobenzoyl)pyrrolidine-3-carboxamide

C12H12Br2N2O2 — CID 104919326

IUPAC1-(2,5-dibromobenzoyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cc(Br)ccc2Br)C1
InChIInChI=1S/C12H12Br2N2O2/c13-8-1-2-10(14)9(5-8)12(18)16-4-3-7(6-16)11(15)17/h1-2,5,7H,3-4,6H2,(H2,15,17)
InChIKeyRGRPPKWGUKLBDO-UHFFFAOYSA-N
MW376.05 g/mol
LogP2.16
Rot. Bonds2

About 1-(2,5-dibromobenzoyl)pyrrolidine-3-carboxamide

1-(2,5-dibromobenzoyl)pyrrolidine-3-carboxamide (PubChem CID 104919326) has the molecular formula C12H12Br2N2O2 and a molecular weight of 376.05 g/mol. Its IUPAC name is 1-(2,5-dibromobenzoyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dibromobenzoyl)pyrrolidine-3-carboxamide
PubChem CID104919326
Molecular FormulaC12H12Br2N2O2
Molecular Weight376.05 g/mol
Exact Mass373.93
IUPAC Name1-(2,5-dibromobenzoyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cc(Br)ccc2Br)C1
InChIInChI=1S/C12H12Br2N2O2/c13-8-1-2-10(14)9(5-8)12(18)16-4-3-7(6-16)11(15)17/h1-2,5,7H,3-4,6H2,(H2,15,17)
InChIKeyRGRPPKWGUKLBDO-UHFFFAOYSA-N
XLogP2.16
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.05
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxamide
CID 24699357
1-(2-bromo-5-sulfanylbenzoyl)piperidine-4-carboxamide
CID 107020826
1-(2-bromo-5-methylbenzoyl)piperidine-4-carboxamide
CID 80948959
1-(2-amino-4-bromobenzoyl)piperidine-3-carboxamide
CID 79714737
1-(4-bromo-2-hydroxybenzoyl)piperidine-4-carboxamide
CID 47080579
(2,5-dibromophenyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 114372546
1-(4-bromo-3-chlorobenzoyl)pyrrolidine-3-carboxamide
CID 113259113
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dibromophenyl)methanone
CID 114960521
1-(2-bromobenzoyl)piperidine-3-carboxamide
CID 24692766
(3R)-1-(2-bromo-5-chlorobenzoyl)pyrrolidine-3-carboxylic acid
CID 124677279
1-(5-bromo-2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 63006897
1-(2-amino-5-methylbenzoyl)pyrrolidine-3-carboxamide
CID 114081662

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromobenzoyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,5-dibromobenzoyl)pyrrolidine-3-carboxamide (CID 104919326) is 1-(2,5-dibromobenzoyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dibromobenzoyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,5-dibromobenzoyl)pyrrolidine-3-carboxamide is NC(=O)C1CCN(C(=O)c2cc(Br)ccc2Br)C1.
What is the InChIKey of 1-(2,5-dibromobenzoyl)pyrrolidine-3-carboxamide?
The InChIKey is RGRPPKWGUKLBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N2O2/c13-8-1-2-10(14)9(5-8)12(18)16-4-3-7(6-16)11(15)17/h1-2,5,7H,3-4,6H2,(H2,15,17).
What are the key properties of 1-(2,5-dibromobenzoyl)pyrrolidine-3-carboxamide?
1-(2,5-dibromobenzoyl)pyrrolidine-3-carboxamide has a molecular weight of 376.05 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromobenzoyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 104919326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).