5-bromo-N-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide

C14H19BrN2O4 — CID 62468460

IUPAC5-bromo-N-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(NCC(=O)N1CCCC1CCCO)c1ccc(Br)o1
InChIInChI=1S/C14H19BrN2O4/c15-12-6-5-11(21-12)14(20)16-9-13(19)17-7-1-3-10(17)4-2-8-18/h5-6,10,18H,1-4,7-9H2,(H,16,20)
InChIKeyFDHCXVDSWRYPRT-UHFFFAOYSA-N
MW359.22 g/mol
LogP1.54
Rot. Bonds6

About 5-bromo-N-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 62468460) has the molecular formula C14H19BrN2O4 and a molecular weight of 359.22 g/mol. Its IUPAC name is 5-bromo-N-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide
PubChem CID62468460
Molecular FormulaC14H19BrN2O4
Molecular Weight359.22 g/mol
Exact Mass358.05
IUPAC Name5-bromo-N-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(NCC(=O)N1CCCC1CCCO)c1ccc(Br)o1
InChIInChI=1S/C14H19BrN2O4/c15-12-6-5-11(21-12)14(20)16-9-13(19)17-7-1-3-10(17)4-2-8-18/h5-6,10,18H,1-4,7-9H2,(H,16,20)
InChIKeyFDHCXVDSWRYPRT-UHFFFAOYSA-N
XLogP1.54
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-(4-bromophenyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 55955381
5-bromo-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide
CID 51161739
3-(5-bromofuran-2-yl)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 76943987
(5-bromofuran-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261684
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenylethanone
CID 62469494
4-bromo-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 61411306
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 62467531
3-(3-bromophenoxy)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62468269
3-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359457
N-[2-oxo-2-[2-(2-phenylethyl)pyrrolidin-1-yl]ethyl]benzamide
CID 47066258

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide (CID 62468460) is 5-bromo-N-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide is O=C(NCC(=O)N1CCCC1CCCO)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is FDHCXVDSWRYPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O4/c15-12-6-5-11(21-12)14(20)16-9-13(19)17-7-1-3-10(17)4-2-8-18/h5-6,10,18H,1-4,7-9H2,(H,16,20).
What are the key properties of 5-bromo-N-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 359.22 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 62468460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).