(2S)-2-[4-(3,5-dibromophenyl)-2-oxopyrrolidin-1-yl]butanamide

C14H16Br2N2O2 — CID 10135828

IUPAC(2S)-2-[4-(3,5-dibromophenyl)-2-oxopyrrolidin-1-yl]butanamide
SMILESCC[C@@H](C(N)=O)N1CC(c2cc(Br)cc(Br)c2)CC1=O
InChIInChI=1S/C14H16Br2N2O2/c1-2-12(14(17)20)18-7-9(5-13(18)19)8-3-10(15)6-11(16)4-8/h3-4,6,9,12H,2,5,7H2,1H3,(H2,17,20)/t9?,12-/m0/s1
InChIKeyMGULPUMVXJDSMK-ACGXKRRESA-N
MW404.10 g/mol
LogP2.79
Rot. Bonds4

About (2S)-2-[4-(3,5-dibromophenyl)-2-oxopyrrolidin-1-yl]butanamide

(2S)-2-[4-(3,5-dibromophenyl)-2-oxopyrrolidin-1-yl]butanamide (PubChem CID 10135828) has the molecular formula C14H16Br2N2O2 and a molecular weight of 404.10 g/mol. Its IUPAC name is (2S)-2-[4-(3,5-dibromophenyl)-2-oxopyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-[4-(3,5-dibromophenyl)-2-oxopyrrolidin-1-yl]butanamide
PubChem CID10135828
Molecular FormulaC14H16Br2N2O2
Molecular Weight404.10 g/mol
Exact Mass401.96
IUPAC Name(2S)-2-[4-(3,5-dibromophenyl)-2-oxopyrrolidin-1-yl]butanamide
SMILESCC[C@@H](C(N)=O)N1CC(c2cc(Br)cc(Br)c2)CC1=O
InChIInChI=1S/C14H16Br2N2O2/c1-2-12(14(17)20)18-7-9(5-13(18)19)8-3-10(15)6-11(16)4-8/h3-4,6,9,12H,2,5,7H2,1H3,(H2,17,20)/t9?,12-/m0/s1
InChIKeyMGULPUMVXJDSMK-ACGXKRRESA-N
XLogP2.79
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.10
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(3,5-dibromophenyl)-2-oxopyrrolidin-1-yl]butanamide?
The IUPAC name of (2S)-2-[4-(3,5-dibromophenyl)-2-oxopyrrolidin-1-yl]butanamide (CID 10135828) is (2S)-2-[4-(3,5-dibromophenyl)-2-oxopyrrolidin-1-yl]butanamide.
What is the SMILES notation for (2S)-2-[4-(3,5-dibromophenyl)-2-oxopyrrolidin-1-yl]butanamide?
The canonical SMILES for (2S)-2-[4-(3,5-dibromophenyl)-2-oxopyrrolidin-1-yl]butanamide is CC[C@@H](C(N)=O)N1CC(c2cc(Br)cc(Br)c2)CC1=O.
What is the InChIKey of (2S)-2-[4-(3,5-dibromophenyl)-2-oxopyrrolidin-1-yl]butanamide?
The InChIKey is MGULPUMVXJDSMK-ACGXKRRESA-N. The full InChI is InChI=1S/C14H16Br2N2O2/c1-2-12(14(17)20)18-7-9(5-13(18)19)8-3-10(15)6-11(16)4-8/h3-4,6,9,12H,2,5,7H2,1H3,(H2,17,20)/t9?,12-/m0/s1.
What are the key properties of (2S)-2-[4-(3,5-dibromophenyl)-2-oxopyrrolidin-1-yl]butanamide?
(2S)-2-[4-(3,5-dibromophenyl)-2-oxopyrrolidin-1-yl]butanamide has a molecular weight of 404.10 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(3,5-dibromophenyl)-2-oxopyrrolidin-1-yl]butanamide is sourced from PubChem (CID 10135828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).