(2R)-2-[(2-chlorophenyl)methyl]-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine-1-carboxamide

C20H21ClN2O2 — CID 97079969

IUPAC(2R)-2-[(2-chlorophenyl)methyl]-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine-1-carboxamide
SMILESO=C(N[C@H]1COc2ccccc21)N1CCC[C@@H]1Cc1ccccc1Cl
InChIInChI=1S/C20H21ClN2O2/c21-17-9-3-1-6-14(17)12-15-7-5-11-23(15)20(24)22-18-13-25-19-10-4-2-8-16(18)19/h1-4,6,8-10,15,18H,5,7,11-13H2,(H,22,24)/t15-,18+/m1/s1
InChIKeyMFBQUFYQAINBPJ-QAPCUYQASA-N
MW356.85 g/mol
LogP4.19
Rot. Bonds3

About (2R)-2-[(2-chlorophenyl)methyl]-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine-1-carboxamide

(2R)-2-[(2-chlorophenyl)methyl]-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine-1-carboxamide (PubChem CID 97079969) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is (2R)-2-[(2-chlorophenyl)methyl]-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-[(2-chlorophenyl)methyl]-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine-1-carboxamide
PubChem CID97079969
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name(2R)-2-[(2-chlorophenyl)methyl]-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine-1-carboxamide
SMILESO=C(N[C@H]1COc2ccccc21)N1CCC[C@@H]1Cc1ccccc1Cl
InChIInChI=1S/C20H21ClN2O2/c21-17-9-3-1-6-14(17)12-15-7-5-11-23(15)20(24)22-18-13-25-19-10-4-2-8-16(18)19/h1-4,6,8-10,15,18H,5,7,11-13H2,(H,22,24)/t15-,18+/m1/s1
InChIKeyMFBQUFYQAINBPJ-QAPCUYQASA-N
XLogP4.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2-chlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 94651832
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4-amino-1-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butan-1-one
CID 124699273
1-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 124685548
4-(azepan-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)-4-oxobutanamide
CID 135110920
2-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 110751602
2,3-dihydro-1-benzofuran-3-ylurea
CID 62065035
[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-(1-prop-2-ynylpiperidin-4-yl)methanone
CID 94813125
[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-[(2S)-morpholin-2-yl]methanone
CID 124699248
4-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 60574602
tert-butyl 2-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]pyrrolidine-1-carboxylate
CID 103782707
[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-(4-nitrophenyl)methanone
CID 60574653

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-chlorophenyl)methyl]-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-[(2-chlorophenyl)methyl]-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine-1-carboxamide (CID 97079969) is (2R)-2-[(2-chlorophenyl)methyl]-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-[(2-chlorophenyl)methyl]-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-[(2-chlorophenyl)methyl]-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine-1-carboxamide is O=C(N[C@H]1COc2ccccc21)N1CCC[C@@H]1Cc1ccccc1Cl.
What is the InChIKey of (2R)-2-[(2-chlorophenyl)methyl]-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is MFBQUFYQAINBPJ-QAPCUYQASA-N. The full InChI is InChI=1S/C20H21ClN2O2/c21-17-9-3-1-6-14(17)12-15-7-5-11-23(15)20(24)22-18-13-25-19-10-4-2-8-16(18)19/h1-4,6,8-10,15,18H,5,7,11-13H2,(H,22,24)/t15-,18+/m1/s1.
What are the key properties of (2R)-2-[(2-chlorophenyl)methyl]-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine-1-carboxamide?
(2R)-2-[(2-chlorophenyl)methyl]-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 356.85 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-chlorophenyl)methyl]-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 97079969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).