7-chloro-N-ethyl-3-methyl-1-benzofuran-2-carboxamide

C12H12ClNO2 — CID 47100020

IUPAC7-chloro-N-ethyl-3-methyl-1-benzofuran-2-carboxamide
SMILESCCNC(=O)c1oc2c(Cl)cccc2c1C
InChIInChI=1S/C12H12ClNO2/c1-3-14-12(15)10-7(2)8-5-4-6-9(13)11(8)16-10/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyXAMKAUKNHIDFQE-UHFFFAOYSA-N
MW237.69 g/mol
LogP3.14
Rot. Bonds2

About 7-chloro-N-ethyl-3-methyl-1-benzofuran-2-carboxamide

7-chloro-N-ethyl-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 47100020) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 7-chloro-N-ethyl-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-ethyl-3-methyl-1-benzofuran-2-carboxamide
PubChem CID47100020
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name7-chloro-N-ethyl-3-methyl-1-benzofuran-2-carboxamide
SMILESCCNC(=O)c1oc2c(Cl)cccc2c1C
InChIInChI=1S/C12H12ClNO2/c1-3-14-12(15)10-7(2)8-5-4-6-9(13)11(8)16-10/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyXAMKAUKNHIDFQE-UHFFFAOYSA-N
XLogP3.14
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-methylpropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119627028
N-(3-aminopropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119405924
7-chloro-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide
CID 87041238
1-(7-chloro-3-methyl-1-benzofuran-2-yl)propan-1-one
CID 139929639
7-chloro-3-methyl-N-pentan-2-yl-1-benzofuran-2-carboxamide
CID 16546211
7-chloro-3-methyl-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 7899827
7-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 8011985
N-[3-(aminomethyl)pentan-3-yl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 119569557
7-chloro-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 49067816
N-[3-(aminomethyl)pentan-3-yl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119569556
N-(4-acetylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 7945365
7-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 46593265

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-ethyl-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-N-ethyl-3-methyl-1-benzofuran-2-carboxamide (CID 47100020) is 7-chloro-N-ethyl-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-N-ethyl-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-N-ethyl-3-methyl-1-benzofuran-2-carboxamide is CCNC(=O)c1oc2c(Cl)cccc2c1C.
What is the InChIKey of 7-chloro-N-ethyl-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is XAMKAUKNHIDFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c1-3-14-12(15)10-7(2)8-5-4-6-9(13)11(8)16-10/h4-6H,3H2,1-2H3,(H,14,15).
What are the key properties of 7-chloro-N-ethyl-3-methyl-1-benzofuran-2-carboxamide?
7-chloro-N-ethyl-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 237.69 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-ethyl-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 47100020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).