N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]furan-3-carboxamide

C15H15BrN2O2 — CID 95620420

IUPACN-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]furan-3-carboxamide
SMILESO=C(N[C@@H]1CCN(c2ccccc2Br)C1)c1ccoc1
InChIInChI=1S/C15H15BrN2O2/c16-13-3-1-2-4-14(13)18-7-5-12(9-18)17-15(19)11-6-8-20-10-11/h1-4,6,8,10,12H,5,7,9H2,(H,17,19)/t12-/m1/s1
InChIKeyJZEWYORBSRSIJM-GFCCVEGCSA-N
MW335.20 g/mol
LogP3.05
Rot. Bonds3

About N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]furan-3-carboxamide

N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]furan-3-carboxamide (PubChem CID 95620420) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]furan-3-carboxamide
PubChem CID95620420
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC NameN-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]furan-3-carboxamide
SMILESO=C(N[C@@H]1CCN(c2ccccc2Br)C1)c1ccoc1
InChIInChI=1S/C15H15BrN2O2/c16-13-3-1-2-4-14(13)18-7-5-12(9-18)17-15(19)11-6-8-20-10-11/h1-4,6,8,10,12H,5,7,9H2,(H,17,19)/t12-/m1/s1
InChIKeyJZEWYORBSRSIJM-GFCCVEGCSA-N
XLogP3.05
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-(2-bromophenyl)pyrrolidin-3-yl]pyridazine-4-carboxamide
CID 124573736
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]furan-3-carboxamide
CID 99697234
1-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]-3-(2-methoxyethyl)urea
CID 96523423
N-cyclopropylfuran-3-carboxamide
CID 60698418
3-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-methylbutanamide
CID 120503919
N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide;dihydrochloride
CID 119884373
N-[2-methyl-5-[(1-phenylpyrrolidin-3-yl)carbamoyl]phenyl]furan-3-carboxamide
CID 172663724
2-[[1-(2-bromophenyl)pyrrolidin-3-yl]amino]acetic acid
CID 117004212
trans-(1R,3R)-3-amino-N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 124700001
N-[2-[[N-[1-(2-bromophenyl)pyrrolidin-3-yl]-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111922212
(2S)-2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methylpentanamide
CID 119884424
N-[1-(2-bromophenyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119884405

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]furan-3-carboxamide?
The IUPAC name of N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]furan-3-carboxamide (CID 95620420) is N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]furan-3-carboxamide.
What is the SMILES notation for N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]furan-3-carboxamide?
The canonical SMILES for N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]furan-3-carboxamide is O=C(N[C@@H]1CCN(c2ccccc2Br)C1)c1ccoc1.
What is the InChIKey of N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]furan-3-carboxamide?
The InChIKey is JZEWYORBSRSIJM-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c16-13-3-1-2-4-14(13)18-7-5-12(9-18)17-15(19)11-6-8-20-10-11/h1-4,6,8,10,12H,5,7,9H2,(H,17,19)/t12-/m1/s1.
What are the key properties of N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]furan-3-carboxamide?
N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]furan-3-carboxamide has a molecular weight of 335.20 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]furan-3-carboxamide is sourced from PubChem (CID 95620420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).