5-bromo-2-fluoro-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide

C19H18BrFN2O3 — CID 34802754

IUPAC5-bromo-2-fluoro-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OCC(=O)N2CCCC2)c1)c1cc(Br)ccc1F
InChIInChI=1S/C19H18BrFN2O3/c20-13-6-7-17(21)16(10-13)19(25)22-14-4-3-5-15(11-14)26-12-18(24)23-8-1-2-9-23/h3-7,10-11H,1-2,8-9,12H2,(H,22,25)
InChIKeyLQQKYHMJVKZINK-UHFFFAOYSA-N
MW421.27 g/mol
LogP3.84
Rot. Bonds5

About 5-bromo-2-fluoro-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide

5-bromo-2-fluoro-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide (PubChem CID 34802754) has the molecular formula C19H18BrFN2O3 and a molecular weight of 421.27 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide
PubChem CID34802754
Molecular FormulaC19H18BrFN2O3
Molecular Weight421.27 g/mol
Exact Mass420.05
IUPAC Name5-bromo-2-fluoro-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OCC(=O)N2CCCC2)c1)c1cc(Br)ccc1F
InChIInChI=1S/C19H18BrFN2O3/c20-13-6-7-17(21)16(10-13)19(25)22-14-4-3-5-15(11-14)26-12-18(24)23-8-1-2-9-23/h3-7,10-11H,1-2,8-9,12H2,(H,22,25)
InChIKeyLQQKYHMJVKZINK-UHFFFAOYSA-N
XLogP3.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.27
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide
CID 46436775
5-amino-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide
CID 120621130
2-[3-(2-aminoethylamino)phenoxy]-1-pyrrolidin-1-ylethanone
CID 117097629
2-methyl-N-[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]propanamide
CID 18870129
2-(3-bromo-4-fluorophenoxy)-1-pyrrolidin-1-ylethanone
CID 83235326
4,4-dimethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 129255718
2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pent-2-enamide
CID 76868356
1-(azepan-1-yl)-2-(5-bromo-2-fluorophenoxy)ethanone
CID 115918563
5-bromo-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 60651347
2-cyano-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide
CID 60530152
2-naphthalen-1-yl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]acetamide
CID 46461055
(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]butanamide
CID 119713860

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide (CID 34802754) is 5-bromo-2-fluoro-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide is O=C(Nc1cccc(OCC(=O)N2CCCC2)c1)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide?
The InChIKey is LQQKYHMJVKZINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrFN2O3/c20-13-6-7-17(21)16(10-13)19(25)22-14-4-3-5-15(11-14)26-12-18(24)23-8-1-2-9-23/h3-7,10-11H,1-2,8-9,12H2,(H,22,25).
What are the key properties of 5-bromo-2-fluoro-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide?
5-bromo-2-fluoro-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide has a molecular weight of 421.27 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide is sourced from PubChem (CID 34802754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).