5-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

C19H21ClN2O4 — CID 41112953

IUPAC5-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESO=C(NC[C@H](c1ccco1)N1CCCC1)c1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C19H21ClN2O4/c20-14-10-13(11-17-18(14)26-9-8-25-17)19(23)21-12-15(16-4-3-7-24-16)22-5-1-2-6-22/h3-4,7,10-11,15H,1-2,5-6,8-9,12H2,(H,21,23)/t15-/m1/s1
InChIKeyGIUDHAYGWNBFQO-OAHLLOKOSA-N
MW376.84 g/mol
LogP3.27
Rot. Bonds5

About 5-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

5-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide (PubChem CID 41112953) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is 5-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
PubChem CID41112953
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Name5-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESO=C(NC[C@H](c1ccco1)N1CCCC1)c1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C19H21ClN2O4/c20-14-10-13(11-17-18(14)26-9-8-25-17)19(23)21-12-15(16-4-3-7-24-16)22-5-1-2-6-22/h3-4,7,10-11,15H,1-2,5-6,8-9,12H2,(H,21,23)/t15-/m1/s1
InChIKeyGIUDHAYGWNBFQO-OAHLLOKOSA-N
XLogP3.27
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7972696
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 34669940
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 4780259
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
2,4-dichloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 40752685
4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7944545
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2,4-dichlorobenzamide
CID 112503384
2,4-dichloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 18161350
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 26834257
4-chloro-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 40844556
N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 7217379

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The IUPAC name of 5-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide (CID 41112953) is 5-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The canonical SMILES for 5-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide is O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc(Cl)c2c(c1)OCCO2.
What is the InChIKey of 5-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The InChIKey is GIUDHAYGWNBFQO-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c20-14-10-13(11-17-18(14)26-9-8-25-17)19(23)21-12-15(16-4-3-7-24-16)22-5-1-2-6-22/h3-4,7,10-11,15H,1-2,5-6,8-9,12H2,(H,21,23)/t15-/m1/s1.
What are the key properties of 5-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
5-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide has a molecular weight of 376.84 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide is sourced from PubChem (CID 41112953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).