5-bromo-3-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]furan-2-carboxamide

C17H19BrN2O2 — CID 47055377

IUPAC5-bromo-3-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]furan-2-carboxamide
SMILESCc1cc(Br)oc1C(=O)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C17H19BrN2O2/c1-12-9-15(18)22-16(12)17(21)19-10-13-7-8-20(11-13)14-5-3-2-4-6-14/h2-6,9,13H,7-8,10-11H2,1H3,(H,19,21)
InChIKeyFEOCLHBTNCZDCD-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.61
Rot. Bonds4

About 5-bromo-3-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]furan-2-carboxamide

5-bromo-3-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]furan-2-carboxamide (PubChem CID 47055377) has the molecular formula C17H19BrN2O2 and a molecular weight of 363.26 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]furan-2-carboxamide
PubChem CID47055377
Molecular FormulaC17H19BrN2O2
Molecular Weight363.26 g/mol
Exact Mass362.06
IUPAC Name5-bromo-3-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]furan-2-carboxamide
SMILESCc1cc(Br)oc1C(=O)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C17H19BrN2O2/c1-12-9-15(18)22-16(12)17(21)19-10-13-7-8-20(11-13)14-5-3-2-4-6-14/h2-6,9,13H,7-8,10-11H2,1H3,(H,19,21)
InChIKeyFEOCLHBTNCZDCD-UHFFFAOYSA-N
XLogP3.61
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

4,5-dimethyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 38442776
2-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]furan-3-carboxamide
CID 38442503
5-bromo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 35201071
2,5-dimethyl-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrole-3-carboxamide
CID 55678741
2-bromo-4-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 55621618
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
ethyl N-[(1-phenylpyrrolidin-3-yl)methyl]carbamate
CID 110640322
2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957578
2-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640445
2-methyl-5-morpholin-4-ylsulfonyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 55652342
3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957565
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 38442601

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-3-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]furan-2-carboxamide (CID 47055377) is 5-bromo-3-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-3-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-3-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]furan-2-carboxamide is Cc1cc(Br)oc1C(=O)NCC1CCN(c2ccccc2)C1.
What is the InChIKey of 5-bromo-3-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]furan-2-carboxamide?
The InChIKey is FEOCLHBTNCZDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2/c1-12-9-15(18)22-16(12)17(21)19-10-13-7-8-20(11-13)14-5-3-2-4-6-14/h2-6,9,13H,7-8,10-11H2,1H3,(H,19,21).
What are the key properties of 5-bromo-3-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]furan-2-carboxamide?
5-bromo-3-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]furan-2-carboxamide has a molecular weight of 363.26 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 47055377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).