5-bromo-N-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide

C17H16Br2N2O3 — CID 55955381

IUPAC5-bromo-N-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(NCC(=O)N1CCCC1c1ccc(Br)cc1)c1ccc(Br)o1
InChIInChI=1S/C17H16Br2N2O3/c18-12-5-3-11(4-6-12)13-2-1-9-21(13)16(22)10-20-17(23)14-7-8-15(19)24-14/h3-8,13H,1-2,9-10H2,(H,20,23)
InChIKeyJDYVOKOIXFRNIH-UHFFFAOYSA-N
MW456.13 g/mol
LogP3.90
Rot. Bonds4

About 5-bromo-N-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 55955381) has the molecular formula C17H16Br2N2O3 and a molecular weight of 456.13 g/mol. Its IUPAC name is 5-bromo-N-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide
PubChem CID55955381
Molecular FormulaC17H16Br2N2O3
Molecular Weight456.13 g/mol
Exact Mass453.95
IUPAC Name5-bromo-N-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(NCC(=O)N1CCCC1c1ccc(Br)cc1)c1ccc(Br)o1
InChIInChI=1S/C17H16Br2N2O3/c18-12-5-3-11(4-6-12)13-2-1-9-21(13)16(22)10-20-17(23)14-7-8-15(19)24-14/h3-8,13H,1-2,9-10H2,(H,20,23)
InChIKeyJDYVOKOIXFRNIH-UHFFFAOYSA-N
XLogP3.90
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.13
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 61408960
5-bromo-N-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide
CID 47102374
5-bromo-N-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 62468460
4-bromo-N-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 112795586
4-bromo-N-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]benzamide
CID 112799127
5-bromo-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide
CID 51161739
bis[2-(4-bromophenyl)pyrrolidin-1-yl]methanone
CID 175308107
(5-bromofuran-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 60715504
5-bromo-N-[4-[2-[2-(3-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 55953671
3-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359457
N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-4-bromobenzamide
CID 112809261
4-bromo-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 61411306

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide (CID 55955381) is 5-bromo-N-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide is O=C(NCC(=O)N1CCCC1c1ccc(Br)cc1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is JDYVOKOIXFRNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Br2N2O3/c18-12-5-3-11(4-6-12)13-2-1-9-21(13)16(22)10-20-17(23)14-7-8-15(19)24-14/h3-8,13H,1-2,9-10H2,(H,20,23).
What are the key properties of 5-bromo-N-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 456.13 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 55955381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).