5-bromo-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide

C12H12BrNO4 — CID 95983656

IUPAC5-bromo-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide
SMILESC[C@](O)(CNC(=O)c1ccc(Br)o1)c1ccco1
InChIInChI=1S/C12H12BrNO4/c1-12(16,9-3-2-6-17-9)7-14-11(15)8-4-5-10(13)18-8/h2-6,16H,7H2,1H3,(H,14,15)/t12-/m0/s1
InChIKeyLCIYUANNRHTMHQ-LBPRGKRZSA-N
MW314.14 g/mol
LogP2.27
Rot. Bonds4

About 5-bromo-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide

5-bromo-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide (PubChem CID 95983656) has the molecular formula C12H12BrNO4 and a molecular weight of 314.14 g/mol. Its IUPAC name is 5-bromo-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide
PubChem CID95983656
Molecular FormulaC12H12BrNO4
Molecular Weight314.14 g/mol
Exact Mass312.99
IUPAC Name5-bromo-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide
SMILESC[C@](O)(CNC(=O)c1ccc(Br)o1)c1ccco1
InChIInChI=1S/C12H12BrNO4/c1-12(16,9-3-2-6-17-9)7-14-11(15)8-4-5-10(13)18-8/h2-6,16H,7H2,1H3,(H,14,15)/t12-/m0/s1
InChIKeyLCIYUANNRHTMHQ-LBPRGKRZSA-N
XLogP2.27
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.14
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 111482154
N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide
CID 121085807
2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide
CID 109477092
2-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide
CID 71782547
2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71782549
2,6-dichloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71975267
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-[4-(2-methylpropyl)phenyl]acetamide
CID 111481934
N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-4-phenylbenzamide
CID 95983664
N-[2-(furan-2-yl)-2-hydroxypropyl]cyclopropanecarboxamide
CID 71782530
5-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-2-carboxamide
CID 115665099

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide (CID 95983656) is 5-bromo-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide is C[C@](O)(CNC(=O)c1ccc(Br)o1)c1ccco1.
What is the InChIKey of 5-bromo-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide?
The InChIKey is LCIYUANNRHTMHQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H12BrNO4/c1-12(16,9-3-2-6-17-9)7-14-11(15)8-4-5-10(13)18-8/h2-6,16H,7H2,1H3,(H,14,15)/t12-/m0/s1.
What are the key properties of 5-bromo-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide?
5-bromo-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide has a molecular weight of 314.14 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide is sourced from PubChem (CID 95983656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).