4-bromo-N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-1H-pyrrole-2-carboxamide

C13H15BrN2O3 — CID 97247644

IUPAC4-bromo-N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-1H-pyrrole-2-carboxamide
SMILESC[C@@H](C[C@@H](O)c1ccco1)NC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C13H15BrN2O3/c1-8(5-11(17)12-3-2-4-19-12)16-13(18)10-6-9(14)7-15-10/h2-4,6-8,11,15,17H,5H2,1H3,(H,16,18)/t8-,11+/m0/s1
InChIKeyQXRXDJCSRLMWSG-GZMMTYOYSA-N
MW327.18 g/mol
LogP2.61
Rot. Bonds5

About 4-bromo-N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-1H-pyrrole-2-carboxamide

4-bromo-N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-1H-pyrrole-2-carboxamide (PubChem CID 97247644) has the molecular formula C13H15BrN2O3 and a molecular weight of 327.18 g/mol. Its IUPAC name is 4-bromo-N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-1H-pyrrole-2-carboxamide
PubChem CID97247644
Molecular FormulaC13H15BrN2O3
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC Name4-bromo-N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-1H-pyrrole-2-carboxamide
SMILESC[C@@H](C[C@@H](O)c1ccco1)NC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C13H15BrN2O3/c1-8(5-11(17)12-3-2-4-19-12)16-13(18)10-6-9(14)7-15-10/h2-4,6-8,11,15,17H,5H2,1H3,(H,16,18)/t8-,11+/m0/s1
InChIKeyQXRXDJCSRLMWSG-GZMMTYOYSA-N
XLogP2.61
TPSA78.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-1H-pyrrole-2-carboxamide with MolForge

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Related Compounds

4-bromo-N-[1-(4-bromophenyl)propan-2-yl]-1H-pyrrole-2-carboxamide
CID 47210992
N-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-phenylfuran-2-carboxamide
CID 97247610
4-fluoro-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-methoxybenzamide
CID 97328495
4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 93317785
(2S)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-2-hydroxy-2-phenylacetamide
CID 99589419
N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 97247632
1-cyclopentyl-N-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]pyrazole-3-carboxamide
CID 97247623
N-[4-(furan-2-yl)-4-hydroxybutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide
CID 136802083
1-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(2-methylfuran-3-yl)methyl]urea
CID 97066307
(1S,3S)-1-(furan-2-yl)butane-1,3-diol
CID 46177371
2-amino-N-[4-(furan-2-yl)-4-hydroxybutan-2-yl]-6-nitrobenzamide
CID 110016240
4-bromo-N-hexan-3-yl-1H-pyrrole-2-carboxamide
CID 62047480

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-1H-pyrrole-2-carboxamide (CID 97247644) is 4-bromo-N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-1H-pyrrole-2-carboxamide is C[C@@H](C[C@@H](O)c1ccco1)NC(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is QXRXDJCSRLMWSG-GZMMTYOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3/c1-8(5-11(17)12-3-2-4-19-12)16-13(18)10-6-9(14)7-15-10/h2-4,6-8,11,15,17H,5H2,1H3,(H,16,18)/t8-,11+/m0/s1.
What are the key properties of 4-bromo-N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-1H-pyrrole-2-carboxamide?
4-bromo-N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 327.18 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 97247644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).