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

C15H13BrN2O3 — CID 95234398

IUPAC5-bromo-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]furan-2-carboxamide
SMILESO=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)o1
InChIInChI=1S/C15H13BrN2O3/c16-13-7-6-12(21-13)14(19)17-11-8-9-18(15(11)20)10-4-2-1-3-5-10/h1-7,11H,8-9H2,(H,17,19)/t11-/m1/s1
InChIKeyZFVMFCUEOOQTCR-LLVKDONJSA-N
MW349.18 g/mol
LogP2.58
Rot. Bonds3

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

5-bromo-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]furan-2-carboxamide (PubChem CID 95234398) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is 5-bromo-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]furan-2-carboxamide
PubChem CID95234398
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Name5-bromo-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]furan-2-carboxamide
SMILESO=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)o1
InChIInChI=1S/C15H13BrN2O3/c16-13-7-6-12(21-13)14(19)17-11-8-9-18(15(11)20)10-4-2-1-3-5-10/h1-7,11H,8-9H2,(H,17,19)/t11-/m1/s1
InChIKeyZFVMFCUEOOQTCR-LLVKDONJSA-N
XLogP2.58
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(carbamoylamino)methyl]-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 136524592
3,5-dimethyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234364
5-cyclopropyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1,2-oxazole-3-carboxamide
CID 130386254
3-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 164634853
4-(dimethylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 71839219
4-methoxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234404
1-cyclopentyl-3-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]urea
CID 95051231
5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid
CID 126786075
3,4-dimethoxy-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 136524569
3-fluoro-4-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234414
5-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]furan-2-carboxamide
CID 108551717
5-bromo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)furan-2-carboxamide
CID 3891588

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]furan-2-carboxamide (CID 95234398) is 5-bromo-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]furan-2-carboxamide is O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]furan-2-carboxamide?
The InChIKey is ZFVMFCUEOOQTCR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c16-13-7-6-12(21-13)14(19)17-11-8-9-18(15(11)20)10-4-2-1-3-5-10/h1-7,11H,8-9H2,(H,17,19)/t11-/m1/s1.
What are the key properties of 5-bromo-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]furan-2-carboxamide?
5-bromo-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]furan-2-carboxamide has a molecular weight of 349.18 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 95234398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).