3-bromo-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide

C12H12BrClN2O2 — CID 103827007

IUPAC3-bromo-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
SMILESO=C1CCC(CNC(=O)c2cc(Cl)cc(Br)c2)N1
InChIInChI=1S/C12H12BrClN2O2/c13-8-3-7(4-9(14)5-8)12(18)15-6-10-1-2-11(17)16-10/h3-5,10H,1-2,6H2,(H,15,18)(H,16,17)
InChIKeyMNFGVFCBHVMDOS-UHFFFAOYSA-N
MW331.60 g/mol
LogP2.11
Rot. Bonds3

About 3-bromo-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide

3-bromo-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide (PubChem CID 103827007) has the molecular formula C12H12BrClN2O2 and a molecular weight of 331.60 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
PubChem CID103827007
Molecular FormulaC12H12BrClN2O2
Molecular Weight331.60 g/mol
Exact Mass329.98
IUPAC Name3-bromo-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
SMILESO=C1CCC(CNC(=O)c2cc(Cl)cc(Br)c2)N1
InChIInChI=1S/C12H12BrClN2O2/c13-8-3-7(4-9(14)5-8)12(18)15-6-10-1-2-11(17)16-10/h3-5,10H,1-2,6H2,(H,15,18)(H,16,17)
InChIKeyMNFGVFCBHVMDOS-UHFFFAOYSA-N
XLogP2.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.60
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 103908657
2,4-dibromo-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 113345292
4-bromo-3-hydroxy-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 103873189
3-bromo-5-chloro-N-(thian-2-ylmethyl)benzamide
CID 114020072
3-bromo-5-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 107939665
4-bromo-N-[(5-oxopyrrolidin-2-yl)methyl]-2-sulfanylbenzamide
CID 107030755
3-bromo-N-[(3-bromocyclohexyl)methyl]-5-chlorobenzamide
CID 106133086
3-bromo-5-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]benzamide
CID 103827085
4-tert-butyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 110732273
4-methylsulfanyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 91792844
2-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]-5-sulfanylbenzamide
CID 107030749
4-bromo-N-[(5-oxopyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 103925282

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide?
The IUPAC name of 3-bromo-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide (CID 103827007) is 3-bromo-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide is O=C1CCC(CNC(=O)c2cc(Cl)cc(Br)c2)N1.
What is the InChIKey of 3-bromo-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide?
The InChIKey is MNFGVFCBHVMDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O2/c13-8-3-7(4-9(14)5-8)12(18)15-6-10-1-2-11(17)16-10/h3-5,10H,1-2,6H2,(H,15,18)(H,16,17).
What are the key properties of 3-bromo-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide?
3-bromo-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide has a molecular weight of 331.60 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide is sourced from PubChem (CID 103827007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).