N-[2-(3-chlorophenoxy)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide

C19H18ClNO4 — CID 55793954

IUPACN-[2-(3-chlorophenoxy)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
SMILESCOc1ccc2oc(C)c(C(=O)NCCOc3cccc(Cl)c3)c2c1
InChIInChI=1S/C19H18ClNO4/c1-12-18(16-11-14(23-2)6-7-17(16)25-12)19(22)21-8-9-24-15-5-3-4-13(20)10-15/h3-7,10-11H,8-9H2,1-2H3,(H,21,22)
InChIKeyGSOYJACTPGZTQJ-UHFFFAOYSA-N
MW359.81 g/mol
LogP4.21
Rot. Bonds6

About N-[2-(3-chlorophenoxy)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide

N-[2-(3-chlorophenoxy)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 55793954) has the molecular formula C19H18ClNO4 and a molecular weight of 359.81 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
PubChem CID55793954
Molecular FormulaC19H18ClNO4
Molecular Weight359.81 g/mol
Exact Mass359.09
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
SMILESCOc1ccc2oc(C)c(C(=O)NCCOc3cccc(Cl)c3)c2c1
InChIInChI=1S/C19H18ClNO4/c1-12-18(16-11-14(23-2)6-7-17(16)25-12)19(22)21-8-9-24-15-5-3-4-13(20)10-15/h3-7,10-11H,8-9H2,1-2H3,(H,21,22)
InChIKeyGSOYJACTPGZTQJ-UHFFFAOYSA-N
XLogP4.21
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-3-carboxamide
CID 55789548
4-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]butanoic acid
CID 13415654
N-(3-hydroxy-3-phenylpropyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 111471937
methyl N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 14496172
N'-(2-chlorobenzoyl)-5-methoxy-2-methyl-1-benzofuran-3-carbohydrazide
CID 55787551
5-[(3-methoxyphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 163379683
N-[2-(3-chlorophenoxy)ethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 55716988
N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 51122290
N-[(1-hydroxycyclopentyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 111331196
N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 110899118
N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane
CID 177170822
N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 139003783

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide (CID 55793954) is N-[2-(3-chlorophenoxy)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide is COc1ccc2oc(C)c(C(=O)NCCOc3cccc(Cl)c3)c2c1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
The InChIKey is GSOYJACTPGZTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO4/c1-12-18(16-11-14(23-2)6-7-17(16)25-12)19(22)21-8-9-24-15-5-3-4-13(20)10-15/h3-7,10-11H,8-9H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
N-[2-(3-chlorophenoxy)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 359.81 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 55793954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).