N-(4-bromo-2-ethylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide

C14H17BrN2O2 — CID 81003857

IUPACN-(4-bromo-2-ethylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCCc1cc(Br)ccc1NC(=O)CN1CCCC1=O
InChIInChI=1S/C14H17BrN2O2/c1-2-10-8-11(15)5-6-12(10)16-13(18)9-17-7-3-4-14(17)19/h5-6,8H,2-4,7,9H2,1H3,(H,16,18)
InChIKeyIFEQTUWPSLYCDB-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.57
Rot. Bonds4

About N-(4-bromo-2-ethylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide

N-(4-bromo-2-ethylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 81003857) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID81003857
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC NameN-(4-bromo-2-ethylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCCc1cc(Br)ccc1NC(=O)CN1CCCC1=O
InChIInChI=1S/C14H17BrN2O2/c1-2-10-8-11(15)5-6-12(10)16-13(18)9-17-7-3-4-14(17)19/h5-6,8H,2-4,7,9H2,1H3,(H,16,18)
InChIKeyIFEQTUWPSLYCDB-UHFFFAOYSA-N
XLogP2.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 110689876
N-(2-bromo-5-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 113255444
N-(4-amino-2-bromophenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 43376282
N-(2,4-dimethoxyphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 47111322
N-(4-bromo-2-ethylphenyl)-2-sulfanylacetamide
CID 81289356
N-(4-chloro-2-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 86930614
2-amino-N-(4-bromo-2-ethylphenyl)acetamide;hydrochloride
CID 119291314
N-(2-amino-5-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 16794654
2-bromo-5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoic acid
CID 115295806
N-(4-bromo-2-ethylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107033074
N-(3-acetylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9209614
methyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate
CID 43406096

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide (CID 81003857) is N-(4-bromo-2-ethylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide is CCc1cc(Br)ccc1NC(=O)CN1CCCC1=O.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is IFEQTUWPSLYCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-2-10-8-11(15)5-6-12(10)16-13(18)9-17-7-3-4-14(17)19/h5-6,8H,2-4,7,9H2,1H3,(H,16,18).
What are the key properties of N-(4-bromo-2-ethylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
N-(4-bromo-2-ethylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 325.21 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 81003857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).