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

C18H16ClNO3 — CID 51065486

IUPACN-[(2-chlorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
SMILESCOc1ccc2oc(C)c(C(=O)NCc3ccccc3Cl)c2c1
InChIInChI=1S/C18H16ClNO3/c1-11-17(14-9-13(22-2)7-8-16(14)23-11)18(21)20-10-12-5-3-4-6-15(12)19/h3-9H,10H2,1-2H3,(H,20,21)
InChIKeyHHSPUNILTFCNNV-UHFFFAOYSA-N
MW329.78 g/mol
LogP4.33
Rot. Bonds4

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

N-[(2-chlorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 51065486) has the molecular formula C18H16ClNO3 and a molecular weight of 329.78 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
PubChem CID51065486
Molecular FormulaC18H16ClNO3
Molecular Weight329.78 g/mol
Exact Mass329.08
IUPAC NameN-[(2-chlorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
SMILESCOc1ccc2oc(C)c(C(=O)NCc3ccccc3Cl)c2c1
InChIInChI=1S/C18H16ClNO3/c1-11-17(14-9-13(22-2)7-8-16(14)23-11)18(21)20-10-12-5-3-4-6-15(12)19/h3-9H,10H2,1-2H3,(H,20,21)
InChIKeyHHSPUNILTFCNNV-UHFFFAOYSA-N
XLogP4.33
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-chlorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2-chlorobenzoyl)-5-methoxy-2-methyl-1-benzofuran-3-carbohydrazide
CID 55787551
N-[2-(3-chlorophenoxy)ethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 55793954
N-(3-hydroxy-3-phenylpropyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 111471937
N-[[4-(carbamoylamino)phenyl]methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 55910440
4-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]butanoic acid
CID 13415654
N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 139003783
5-methoxy-2-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]-1-benzofuran-3-carboxamide
CID 87017070
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
N-[(1-hydroxycyclopentyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 111331196
N-(3-ethyl-2-hydroxypentyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 111115760
N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 110899118
N-[(2-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 881091

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide (CID 51065486) is N-[(2-chlorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide is COc1ccc2oc(C)c(C(=O)NCc3ccccc3Cl)c2c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
The InChIKey is HHSPUNILTFCNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO3/c1-11-17(14-9-13(22-2)7-8-16(14)23-11)18(21)20-10-12-5-3-4-6-15(12)19/h3-9H,10H2,1-2H3,(H,20,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide?
N-[(2-chlorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 329.78 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 51065486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).