7-chloro-3-methyl-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide

C17H15ClN2O2 — CID 51148672

IUPAC7-chloro-3-methyl-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC(C)c2ccncc2)oc2c(Cl)cccc12
InChIInChI=1S/C17H15ClN2O2/c1-10-13-4-3-5-14(18)16(13)22-15(10)17(21)20-11(2)12-6-8-19-9-7-12/h3-9,11H,1-2H3,(H,20,21)
InChIKeyAFLAFFQZFQVFER-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.28
Rot. Bonds3

About 7-chloro-3-methyl-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide

7-chloro-3-methyl-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide (PubChem CID 51148672) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 7-chloro-3-methyl-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-3-methyl-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide
PubChem CID51148672
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name7-chloro-3-methyl-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC(C)c2ccncc2)oc2c(Cl)cccc12
InChIInChI=1S/C17H15ClN2O2/c1-10-13-4-3-5-14(18)16(13)22-15(10)17(21)20-11(2)12-6-8-19-9-7-12/h3-9,11H,1-2H3,(H,20,21)
InChIKeyAFLAFFQZFQVFER-UHFFFAOYSA-N
XLogP4.28
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-3-methyl-N-pentan-2-yl-1-benzofuran-2-carboxamide
CID 16546211
3-methyl-N-[(1R)-1-phenylethyl]benzo[g][1]benzofuran-2-carboxamide
CID 7945436
7-chloro-3-methyl-N-[2-(2-methylpropyl)pyrazol-3-yl]-1-benzofuran-2-carboxamide
CID 134021312
7-chloro-N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-3-methyl-1-benzofuran-2-carboxamide
CID 97235399
7-chloro-3-methyl-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 7899827
3-methyl-N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 4570219
7-chloro-3-methyl-N-quinolin-2-yl-1-benzofuran-2-carboxamide
CID 8006377
1-(7-chloro-3-methyl-1-benzofuran-2-yl)propan-1-one
CID 139929639
3,7-dimethyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 48664763
N-(4-acetylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 7945365
7-chloro-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide
CID 87041238
N-[3-(aminomethyl)pentan-3-yl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 119569557

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-3-methyl-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide (CID 51148672) is 7-chloro-3-methyl-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-3-methyl-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-3-methyl-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)NC(C)c2ccncc2)oc2c(Cl)cccc12.
What is the InChIKey of 7-chloro-3-methyl-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide?
The InChIKey is AFLAFFQZFQVFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-10-13-4-3-5-14(18)16(13)22-15(10)17(21)20-11(2)12-6-8-19-9-7-12/h3-9,11H,1-2H3,(H,20,21).
What are the key properties of 7-chloro-3-methyl-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide?
7-chloro-3-methyl-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide has a molecular weight of 314.77 g/mol, XLogP of 4.28, 3 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-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 51148672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).