2-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)furan-3-carboxamide

C14H13ClN2O2 — CID 106688632

IUPAC2-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)furan-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)CNC2)c1ccoc1Cl
InChIInChI=1S/C14H13ClN2O2/c15-13-12(3-4-19-13)14(18)17-6-9-1-2-10-7-16-8-11(10)5-9/h1-5,16H,6-8H2,(H,17,18)
InChIKeyILIJOVPUZKFYDP-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.47
Rot. Bonds3

About 2-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)furan-3-carboxamide

2-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)furan-3-carboxamide (PubChem CID 106688632) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)furan-3-carboxamide
PubChem CID106688632
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name2-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)furan-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)CNC2)c1ccoc1Cl
InChIInChI=1S/C14H13ClN2O2/c15-13-12(3-4-19-13)14(18)17-6-9-1-2-10-7-16-8-11(10)5-9/h1-5,16H,6-8H2,(H,17,18)
InChIKeyILIJOVPUZKFYDP-UHFFFAOYSA-N
XLogP2.47
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyridine-4-carboxamide
CID 105062327
3,5-dichloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzamide
CID 105062320
5-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyridine-2-carboxamide
CID 105062322
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-difluorobenzamide
CID 105062382
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-5-methylfuran-3-carboxamide
CID 105357534
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-fluoropyridine-4-carboxamide
CID 105062273
3-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1,1-dimethylurea
CID 105357649
2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 106686763
2-chloro-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide
CID 106686527
3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methylthiophene-2-carboxamide
CID 103403908
N-[(3-carbamothioylphenyl)methyl]-2-chlorofuran-3-carboxamide
CID 106684933
2-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide
CID 136536492

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)furan-3-carboxamide?
The IUPAC name of 2-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)furan-3-carboxamide (CID 106688632) is 2-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)furan-3-carboxamide is O=C(NCc1ccc2c(c1)CNC2)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)furan-3-carboxamide?
The InChIKey is ILIJOVPUZKFYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-13-12(3-4-19-13)14(18)17-6-9-1-2-10-7-16-8-11(10)5-9/h1-5,16H,6-8H2,(H,17,18).
What are the key properties of 2-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)furan-3-carboxamide?
2-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)furan-3-carboxamide has a molecular weight of 276.72 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)furan-3-carboxamide is sourced from PubChem (CID 106688632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).