7-chloro-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-benzofuran-2-carboxamide

C17H19ClN2O3 — CID 24978680

IUPAC7-chloro-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCCN2CCCC2=O)oc2c(Cl)cccc12
InChIInChI=1S/C17H19ClN2O3/c1-11-12-5-2-6-13(18)16(12)23-15(11)17(22)19-8-4-10-20-9-3-7-14(20)21/h2,5-6H,3-4,7-10H2,1H3,(H,19,22)
InChIKeyMSMTZSRAJWBSDZ-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.14
Rot. Bonds5

About 7-chloro-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-benzofuran-2-carboxamide

7-chloro-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-benzofuran-2-carboxamide (PubChem CID 24978680) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 7-chloro-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-benzofuran-2-carboxamide
PubChem CID24978680
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name7-chloro-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCCN2CCCC2=O)oc2c(Cl)cccc12
InChIInChI=1S/C17H19ClN2O3/c1-11-12-5-2-6-13(18)16(12)23-15(11)17(22)19-8-4-10-20-9-3-7-14(20)21/h2,5-6H,3-4,7-10H2,1H3,(H,19,22)
InChIKeyMSMTZSRAJWBSDZ-UHFFFAOYSA-N
XLogP3.14
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-benzofuran-2-carboxamide (CID 24978680) is 7-chloro-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCCCN2CCCC2=O)oc2c(Cl)cccc12.
What is the InChIKey of 7-chloro-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-benzofuran-2-carboxamide?
The InChIKey is MSMTZSRAJWBSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-11-12-5-2-6-13(18)16(12)23-15(11)17(22)19-8-4-10-20-9-3-7-14(20)21/h2,5-6H,3-4,7-10H2,1H3,(H,19,22).
What are the key properties of 7-chloro-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-benzofuran-2-carboxamide?
7-chloro-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-benzofuran-2-carboxamide has a molecular weight of 334.80 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24978680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).