4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide

C17H19BrN2O2 — CID 7944545

IUPAC4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESO=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C17H19BrN2O2/c18-14-7-5-13(6-8-14)17(21)19-12-15(16-4-3-11-22-16)20-9-1-2-10-20/h3-8,11,15H,1-2,9-10,12H2,(H,19,21)/t15-/m0/s1
InChIKeyZYPVKPJVSFEPAY-HNNXBMFYSA-N
MW363.26 g/mol
LogP3.61
Rot. Bonds5

About 4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide

4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 7944545) has the molecular formula C17H19BrN2O2 and a molecular weight of 363.26 g/mol. Its IUPAC name is 4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID7944545
Molecular FormulaC17H19BrN2O2
Molecular Weight363.26 g/mol
Exact Mass362.06
IUPAC Name4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESO=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C17H19BrN2O2/c18-14-7-5-13(6-8-14)17(21)19-12-15(16-4-3-11-22-16)20-9-1-2-10-20/h3-8,11,15H,1-2,9-10,12H2,(H,19,21)/t15-/m0/s1
InChIKeyZYPVKPJVSFEPAY-HNNXBMFYSA-N
XLogP3.61
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[3-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]benzamide
CID 26622015
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
4-bromo-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide;hydrochloride
CID 52985470
5-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
CID 17490617
6-(4-bromophenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
CID 55786679
4-acetamido-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 40804110
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 4807751
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methylsulfonylbenzamide
CID 4883203
3,4-dichloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7972696
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-pyrazol-1-ylbenzamide
CID 9171895
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 26834301

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide (CID 7944545) is 4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide is O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is ZYPVKPJVSFEPAY-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19BrN2O2/c18-14-7-5-13(6-8-14)17(21)19-12-15(16-4-3-11-22-16)20-9-1-2-10-20/h3-8,11,15H,1-2,9-10,12H2,(H,19,21)/t15-/m0/s1.
What are the key properties of 4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide?
4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 363.26 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 7944545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).