(2S)-1-acetyl-N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine-2-carboxamide

C15H17ClN2O3 — CID 99638534

IUPAC(2S)-1-acetyl-N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C15H17ClN2O3/c1-9(19)18-5-2-3-13(18)15(20)17-12-8-11(16)7-10-4-6-21-14(10)12/h7-8,13H,2-6H2,1H3,(H,17,20)/t13-/m0/s1
InChIKeyUXUNNYCWDZDOJZ-ZDUSSCGKSA-N
MW308.76 g/mol
LogP2.22
Rot. Bonds2

About (2S)-1-acetyl-N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine-2-carboxamide

(2S)-1-acetyl-N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine-2-carboxamide (PubChem CID 99638534) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.76 g/mol. Its IUPAC name is (2S)-1-acetyl-N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine-2-carboxamide
PubChem CID99638534
Molecular FormulaC15H17ClN2O3
Molecular Weight308.76 g/mol
Exact Mass308.09
IUPAC Name(2S)-1-acetyl-N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C15H17ClN2O3/c1-9(19)18-5-2-3-13(18)15(20)17-12-8-11(16)7-10-4-6-21-14(10)12/h7-8,13H,2-6H2,1H3,(H,17,20)/t13-/m0/s1
InChIKeyUXUNNYCWDZDOJZ-ZDUSSCGKSA-N
XLogP2.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-(5-chloro-2-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
CID 78798756
N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 126788564
(2S)-N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 124568548
(2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide
CID 91903420
1-acetyl-N-(6-amino-1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide
CID 119617953
N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-[(3R)-oxan-3-yl]propanamide
CID 97309160
1-acetyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170916
N-(3,4-dihydro-2H-chromen-8-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110870772
2-[2-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]acetic acid
CID 119353114
(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 784723
(2S)-1-acetyl-N-[4-[5-[4-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 53302967
(2S)-1-acetyl-N-[2-(ethylamino)-4-methylphenyl]pyrrolidine-2-carboxamide
CID 99833431

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine-2-carboxamide (CID 99638534) is (2S)-1-acetyl-N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine-2-carboxamide is CC(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc2c1OCC2.
What is the InChIKey of (2S)-1-acetyl-N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine-2-carboxamide?
The InChIKey is UXUNNYCWDZDOJZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-9(19)18-5-2-3-13(18)15(20)17-12-8-11(16)7-10-4-6-21-14(10)12/h7-8,13H,2-6H2,1H3,(H,17,20)/t13-/m0/s1.
What are the key properties of (2S)-1-acetyl-N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine-2-carboxamide?
(2S)-1-acetyl-N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine-2-carboxamide has a molecular weight of 308.76 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 99638534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).