N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide

C16H15ClN2O3 — CID 95619997

IUPACN-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C16H15ClN2O3/c1-10-7-9-22-14(10)15(20)18-12-6-8-19(16(12)21)13-5-3-2-4-11(13)17/h2-5,7,9,12H,6,8H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyLJJQPXRBWIWYRW-LBPRGKRZSA-N
MW318.76 g/mol
LogP2.78
Rot. Bonds3

About N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide

N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide (PubChem CID 95619997) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide
PubChem CID95619997
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC NameN-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C16H15ClN2O3/c1-10-7-9-22-14(10)15(20)18-12-6-8-19(16(12)21)13-5-3-2-4-11(13)17/h2-5,7,9,12H,6,8H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyLJJQPXRBWIWYRW-LBPRGKRZSA-N
XLogP2.78
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide (CID 95619997) is N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O.
What is the InChIKey of N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide?
The InChIKey is LJJQPXRBWIWYRW-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-10-7-9-22-14(10)15(20)18-12-6-8-19(16(12)21)13-5-3-2-4-11(13)17/h2-5,7,9,12H,6,8H2,1H3,(H,18,20)/t12-/m0/s1.
What are the key properties of N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide?
N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide has a molecular weight of 318.76 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 95619997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).