7-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide

C20H19ClN2O4 — CID 16546548

IUPAC7-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)c2oc3c(Cl)cccc3c2C)cc1
InChIInChI=1S/C20H19ClN2O4/c1-12-15-5-4-6-16(21)19(15)27-18(12)20(25)23(2)11-17(24)22-13-7-9-14(26-3)10-8-13/h4-10H,11H2,1-3H3,(H,22,24)
InChIKeyJKFGZRBFBMEVTQ-UHFFFAOYSA-N
MW386.84 g/mol
LogP4.11
Rot. Bonds5

About 7-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide

7-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 16546548) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is 7-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
PubChem CID16546548
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name7-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)c2oc3c(Cl)cccc3c2C)cc1
InChIInChI=1S/C20H19ClN2O4/c1-12-15-5-4-6-16(21)19(15)27-18(12)20(25)23(2)11-17(24)22-13-7-9-14(26-3)10-8-13/h4-10H,11H2,1-3H3,(H,22,24)
InChIKeyJKFGZRBFBMEVTQ-UHFFFAOYSA-N
XLogP4.11
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 24542566
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 7718952
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2658282
2-hydroxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 39122596
7-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 31285128
7-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 109388515
N-[2-(4-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 24979162
N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbenzo[g][1]benzofuran-2-carboxamide
CID 9076585
7-chloro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzofuran-2-carboxamide
CID 7924968
N-(4-acetylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 7945365
2-ethoxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 2481404
2-chloro-5-(diethylsulfamoyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 26883565

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide (CID 16546548) is 7-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide is COc1ccc(NC(=O)CN(C)C(=O)c2oc3c(Cl)cccc3c2C)cc1.
What is the InChIKey of 7-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is JKFGZRBFBMEVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-12-15-5-4-6-16(21)19(15)27-18(12)20(25)23(2)11-17(24)22-13-7-9-14(26-3)10-8-13/h4-10H,11H2,1-3H3,(H,22,24).
What are the key properties of 7-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide?
7-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 386.84 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16546548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).