5-bromo-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide

C18H21BrN2O2 — CID 35341949

IUPAC5-bromo-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
SMILESCc1ccc([C@H](CNC(=O)c2ccc(Br)o2)N2CCCC2)cc1
InChIInChI=1S/C18H21BrN2O2/c1-13-4-6-14(7-5-13)15(21-10-2-3-11-21)12-20-18(22)16-8-9-17(19)23-16/h4-9,15H,2-3,10-12H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyLEMOPESJSZRVKI-HNNXBMFYSA-N
MW377.28 g/mol
LogP3.92
Rot. Bonds5

About 5-bromo-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide

5-bromo-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide (PubChem CID 35341949) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is 5-bromo-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
PubChem CID35341949
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC Name5-bromo-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
SMILESCc1ccc([C@H](CNC(=O)c2ccc(Br)o2)N2CCCC2)cc1
InChIInChI=1S/C18H21BrN2O2/c1-13-4-6-14(7-5-13)15(21-10-2-3-11-21)12-20-18(22)16-8-9-17(19)23-16/h4-9,15H,2-3,10-12H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyLEMOPESJSZRVKI-HNNXBMFYSA-N
XLogP3.92
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
CID 27369673
5-bromo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]furan-2-carboxamide
CID 34981283
5-bromo-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]furan-2-carboxamide
CID 35043440
5-chloro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
CID 30334540
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35180369
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide
CID 43843128
N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenylacetamide
CID 34952082
6-chloro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 35574606
5-bromo-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]furan-2-carboxamide
CID 27369839
5-bromo-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]furan-2-carboxamide
CID 20934532
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 40782504
4-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951585

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide (CID 35341949) is 5-bromo-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide is Cc1ccc([C@H](CNC(=O)c2ccc(Br)o2)N2CCCC2)cc1.
What is the InChIKey of 5-bromo-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide?
The InChIKey is LEMOPESJSZRVKI-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-13-4-6-14(7-5-13)15(21-10-2-3-11-21)12-20-18(22)16-8-9-17(19)23-16/h4-9,15H,2-3,10-12H2,1H3,(H,20,22)/t15-/m0/s1.
What are the key properties of 5-bromo-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide?
5-bromo-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide has a molecular weight of 377.28 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 35341949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).