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

C12H12ClNO4 — CID 111482154

IUPAC5-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide
SMILESCC(O)(CNC(=O)c1ccc(Cl)o1)c1ccco1
InChIInChI=1S/C12H12ClNO4/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)
InChIKeyPBQINLGGNCDKPG-UHFFFAOYSA-N
MW269.68 g/mol
LogP2.16
Rot. Bonds4

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

5-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide (PubChem CID 111482154) has the molecular formula C12H12ClNO4 and a molecular weight of 269.68 g/mol. Its IUPAC name is 5-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide
PubChem CID111482154
Molecular FormulaC12H12ClNO4
Molecular Weight269.68 g/mol
Exact Mass269.05
IUPAC Name5-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide
SMILESCC(O)(CNC(=O)c1ccc(Cl)o1)c1ccco1
InChIInChI=1S/C12H12ClNO4/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)
InChIKeyPBQINLGGNCDKPG-UHFFFAOYSA-N
XLogP2.16
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.68
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 95983656
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
5-chloro-N-(2-hydroxy-2-methylpropyl)furan-2-carboxamide
CID 65109429
N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide
CID 121085807
3-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide
CID 111519619
2-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide
CID 71782547
5-chloro-N-(2-hydroxy-2,3-dimethylbutyl)furan-2-carboxamide
CID 111483845
2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide
CID 111482264
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
5-chloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 111478926

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide (CID 111482154) is 5-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide is CC(O)(CNC(=O)c1ccc(Cl)o1)c1ccco1.
What is the InChIKey of 5-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide?
The InChIKey is PBQINLGGNCDKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO4/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).
What are the key properties of 5-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide?
5-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide has a molecular weight of 269.68 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide is sourced from PubChem (CID 111482154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).