5-chloro-N-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

C17H16ClNO3 — CID 43013531

IUPAC5-chloro-N-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C17H16ClNO3/c1-10-3-5-15(21-2)13(7-10)19-17(20)16-9-11-8-12(18)4-6-14(11)22-16/h3-8,16H,9H2,1-2H3,(H,19,20)
InChIKeyLUISBXYGNPZYQN-UHFFFAOYSA-N
MW317.77 g/mol
LogP3.60
Rot. Bonds3

About 5-chloro-N-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

5-chloro-N-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 43013531) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID43013531
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name5-chloro-N-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C17H16ClNO3/c1-10-3-5-15(21-2)13(7-10)19-17(20)16-9-11-8-12(18)4-6-14(11)22-16/h3-8,16H,9H2,1-2H3,(H,19,20)
InChIKeyLUISBXYGNPZYQN-UHFFFAOYSA-N
XLogP3.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(4-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43013499
(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9083841
5-chloro-N-[2-(dimethylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 46600537
5-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 24513759
1-N-(5-chloro-2-methoxyphenyl)-2-N-(2,4-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141518
5-chloro-N-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089364
6-[(5-chloro-2-methoxyphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 6469206
N-(2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 17392144
5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18090235
(2S)-5-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 94134387
5-chloro-N-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42893127
(2R)-5-chloro-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8006571

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 43013531) is 5-chloro-N-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide is COc1ccc(C)cc1NC(=O)C1Cc2cc(Cl)ccc2O1.
What is the InChIKey of 5-chloro-N-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is LUISBXYGNPZYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-10-3-5-15(21-2)13(7-10)19-17(20)16-9-11-8-12(18)4-6-14(11)22-16/h3-8,16H,9H2,1-2H3,(H,19,20).
What are the key properties of 5-chloro-N-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
5-chloro-N-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 317.77 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 43013531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).