7-chloro-3-methyl-N-propyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide

C17H21ClN2O2 — CID 119530695

IUPAC7-chloro-3-methyl-N-propyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide
SMILESCCCN(C(=O)c1oc2c(Cl)cccc2c1C)C1CCNC1
InChIInChI=1S/C17H21ClN2O2/c1-3-9-20(12-7-8-19-10-12)17(21)15-11(2)13-5-4-6-14(18)16(13)22-15/h4-6,12,19H,3,7-10H2,1-2H3
InChIKeyJJZYRYQWSXEBSK-UHFFFAOYSA-N
MW320.82 g/mol
LogP3.61
Rot. Bonds4

About 7-chloro-3-methyl-N-propyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide

7-chloro-3-methyl-N-propyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide (PubChem CID 119530695) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is 7-chloro-3-methyl-N-propyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-3-methyl-N-propyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide
PubChem CID119530695
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC Name7-chloro-3-methyl-N-propyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide
SMILESCCCN(C(=O)c1oc2c(Cl)cccc2c1C)C1CCNC1
InChIInChI=1S/C17H21ClN2O2/c1-3-9-20(12-7-8-19-10-12)17(21)15-11(2)13-5-4-6-14(18)16(13)22-15/h4-6,12,19H,3,7-10H2,1-2H3
InChIKeyJJZYRYQWSXEBSK-UHFFFAOYSA-N
XLogP3.61
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2,6-dichlorophenoxy)methyl]-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide
CID 119533285
2-chloro-6-fluoro-N-piperidin-3-yl-N-propylbenzamide
CID 63636405
2,4-dimethyl-N-propyl-N-[(3R)-pyrrolidin-3-yl]-1,3-oxazole-5-carboxamide
CID 124574512
2,4-dimethyl-N-propyl-N-pyrrolidin-3-yl-1,3-oxazole-5-carboxamide;hydrochloride
CID 119532322
2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826015
7-chloro-3-methyl-N-(2-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119556193
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533174
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826
N-butyl-3-chloro-2-methyl-N-piperidin-4-ylbenzamide
CID 11162642
N-propyl-N-pyrrolidin-3-yl-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 60806852
2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 60805843
4-bromo-2-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300963

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-N-propyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-3-methyl-N-propyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide (CID 119530695) is 7-chloro-3-methyl-N-propyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-3-methyl-N-propyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-3-methyl-N-propyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide is CCCN(C(=O)c1oc2c(Cl)cccc2c1C)C1CCNC1.
What is the InChIKey of 7-chloro-3-methyl-N-propyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide?
The InChIKey is JJZYRYQWSXEBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c1-3-9-20(12-7-8-19-10-12)17(21)15-11(2)13-5-4-6-14(18)16(13)22-15/h4-6,12,19H,3,7-10H2,1-2H3.
What are the key properties of 7-chloro-3-methyl-N-propyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide?
7-chloro-3-methyl-N-propyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide has a molecular weight of 320.82 g/mol, XLogP of 3.61, 4 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-propyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 119530695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).