2-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylfuran-3-carboxamide

C10H13ClN2O3 — CID 106688427

IUPAC2-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylfuran-3-carboxamide
SMILESCN(C(=O)c1ccoc1Cl)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C10H13ClN2O3/c1-13(7-4-12-5-8(7)14)10(15)6-2-3-16-9(6)11/h2-3,7-8,12,14H,4-5H2,1H3/t7-,8-/m1/s1
InChIKeyWUDSFWFQZKVVMF-HTQZYQBOSA-N
MW244.68 g/mol
LogP0.34
Rot. Bonds2

About 2-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylfuran-3-carboxamide

2-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylfuran-3-carboxamide (PubChem CID 106688427) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylfuran-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylfuran-3-carboxamide
PubChem CID106688427
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC Name2-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylfuran-3-carboxamide
SMILESCN(C(=O)c1ccoc1Cl)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C10H13ClN2O3/c1-13(7-4-12-5-8(7)14)10(15)6-2-3-16-9(6)11/h2-3,7-8,12,14H,4-5H2,1H3/t7-,8-/m1/s1
InChIKeyWUDSFWFQZKVVMF-HTQZYQBOSA-N
XLogP0.34
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-methyl-N-piperidin-4-ylfuran-3-carboxamide
CID 106688438
N-(2-adamantyl)-2-chloro-N-methylfuran-3-carboxamide
CID 106686283
4-chloro-N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N-methylbenzamide
CID 114088799
N-(4-hydroxypyrrolidin-3-yl)-N-methyl-1,2-oxazole-3-carboxamide
CID 76930117
2-chloro-N-methyl-N-(thiolan-3-yl)furan-3-carboxamide
CID 106685400
N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N,2,3-trimethylbenzamide
CID 114088803
2-chloro-N-ethyl-N-methylfuran-3-carboxamide
CID 106685381
N-(azetidin-3-yl)-2-chlorofuran-3-carboxamide
CID 106688544
2-(3,4-dichlorophenyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide
CID 63046152
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(2-chlorofuran-3-yl)methanone
CID 106688551
N-(4-hydroxypyrrolidin-3-yl)-N-methyl-1H-pyrrole-2-carboxamide
CID 74884160
N-(2-bromoethyl)-2-chloro-N-methylfuran-3-carboxamide
CID 106689914

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylfuran-3-carboxamide?
The IUPAC name of 2-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylfuran-3-carboxamide (CID 106688427) is 2-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylfuran-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylfuran-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylfuran-3-carboxamide is CN(C(=O)c1ccoc1Cl)[C@@H]1CNC[C@H]1O.
What is the InChIKey of 2-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylfuran-3-carboxamide?
The InChIKey is WUDSFWFQZKVVMF-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H13ClN2O3/c1-13(7-4-12-5-8(7)14)10(15)6-2-3-16-9(6)11/h2-3,7-8,12,14H,4-5H2,1H3/t7-,8-/m1/s1.
What are the key properties of 2-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylfuran-3-carboxamide?
2-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylfuran-3-carboxamide has a molecular weight of 244.68 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylfuran-3-carboxamide is sourced from PubChem (CID 106688427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).