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

C19H21ClN2O3 — CID 26002911

IUPAC(2R)-5-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NC[C@H](c1ccco1)N1CCCC1)[C@H]1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C19H21ClN2O3/c20-14-5-6-16-13(10-14)11-18(25-16)19(23)21-12-15(17-4-3-9-24-17)22-7-1-2-8-22/h3-6,9-10,15,18H,1-2,7-8,11-12H2,(H,21,23)/t15-,18-/m1/s1
InChIKeySWJZXVKVZUDTFX-CRAIPNDOSA-N
MW360.84 g/mol
LogP3.19
Rot. Bonds5

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

(2R)-5-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 26002911) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is (2R)-5-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2R)-5-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID26002911
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name(2R)-5-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NC[C@H](c1ccco1)N1CCCC1)[C@H]1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C19H21ClN2O3/c20-14-5-6-16-13(10-14)11-18(25-16)19(23)21-12-15(17-4-3-9-24-17)22-7-1-2-8-22/h3-6,9-10,15,18H,1-2,7-8,11-12H2,(H,21,23)/t15-,18-/m1/s1
InChIKeySWJZXVKVZUDTFX-CRAIPNDOSA-N
XLogP3.19
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55886623
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 7780302
2,4-dichloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 40752685
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480
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
(2R)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51927151
1-(4-chlorobenzoyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
CID 41023335
1-(2,4-dichlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
CID 40952622
5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 24679615
N-(3-amino-2-hydroxy-3-oxopropyl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 106164157
1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 36872492

Frequently Asked Questions

What is the IUPAC name of (2R)-5-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2R)-5-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 26002911) is (2R)-5-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2R)-5-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2R)-5-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(NC[C@H](c1ccco1)N1CCCC1)[C@H]1Cc2cc(Cl)ccc2O1.
What is the InChIKey of (2R)-5-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is SWJZXVKVZUDTFX-CRAIPNDOSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c20-14-5-6-16-13(10-14)11-18(25-16)19(23)21-12-15(17-4-3-9-24-17)22-7-1-2-8-22/h3-6,9-10,15,18H,1-2,7-8,11-12H2,(H,21,23)/t15-,18-/m1/s1.
What are the key properties of (2R)-5-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2R)-5-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 360.84 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 26002911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).