7-chloro-3-methyl-N-pentan-2-yl-1-benzofuran-2-carboxamide

C15H18ClNO2 — CID 16546211

IUPAC7-chloro-3-methyl-N-pentan-2-yl-1-benzofuran-2-carboxamide
SMILESCCCC(C)NC(=O)c1oc2c(Cl)cccc2c1C
InChIInChI=1S/C15H18ClNO2/c1-4-6-9(2)17-15(18)13-10(3)11-7-5-8-12(16)14(11)19-13/h5,7-9H,4,6H2,1-3H3,(H,17,18)
InChIKeyHBHBYJSFCVTEKY-UHFFFAOYSA-N
MW279.77 g/mol
LogP4.31
Rot. Bonds4

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

7-chloro-3-methyl-N-pentan-2-yl-1-benzofuran-2-carboxamide (PubChem CID 16546211) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 7-chloro-3-methyl-N-pentan-2-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-3-methyl-N-pentan-2-yl-1-benzofuran-2-carboxamide
PubChem CID16546211
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name7-chloro-3-methyl-N-pentan-2-yl-1-benzofuran-2-carboxamide
SMILESCCCC(C)NC(=O)c1oc2c(Cl)cccc2c1C
InChIInChI=1S/C15H18ClNO2/c1-4-6-9(2)17-15(18)13-10(3)11-7-5-8-12(16)14(11)19-13/h5,7-9H,4,6H2,1-3H3,(H,17,18)
InChIKeyHBHBYJSFCVTEKY-UHFFFAOYSA-N
XLogP4.31
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-N-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 47100020
7-chloro-3-methyl-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide
CID 51148672
7-chloro-N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-3-methyl-1-benzofuran-2-carboxamide
CID 97235399
1-(7-chloro-3-methyl-1-benzofuran-2-yl)propan-1-one
CID 139929639
7-chloro-3-methyl-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 7899827
N-(2-amino-2-methylpropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119627028
N-[3-(aminomethyl)pentan-3-yl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 119569557
N-(3-aminopropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119405924
7-chloro-3-methyl-N-[2-(2-methylpropyl)pyrazol-3-yl]-1-benzofuran-2-carboxamide
CID 134021312
7-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 109388515
N-[3-(aminomethyl)pentan-3-yl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119569556
8-chloro-2-oxo-N-[(2R)-pentan-2-yl]chromene-3-carboxamide
CID 100794915

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-N-pentan-2-yl-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-3-methyl-N-pentan-2-yl-1-benzofuran-2-carboxamide (CID 16546211) is 7-chloro-3-methyl-N-pentan-2-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-3-methyl-N-pentan-2-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-3-methyl-N-pentan-2-yl-1-benzofuran-2-carboxamide is CCCC(C)NC(=O)c1oc2c(Cl)cccc2c1C.
What is the InChIKey of 7-chloro-3-methyl-N-pentan-2-yl-1-benzofuran-2-carboxamide?
The InChIKey is HBHBYJSFCVTEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-4-6-9(2)17-15(18)13-10(3)11-7-5-8-12(16)14(11)19-13/h5,7-9H,4,6H2,1-3H3,(H,17,18).
What are the key properties of 7-chloro-3-methyl-N-pentan-2-yl-1-benzofuran-2-carboxamide?
7-chloro-3-methyl-N-pentan-2-yl-1-benzofuran-2-carboxamide has a molecular weight of 279.77 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-N-pentan-2-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16546211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).