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

C19H18ClNO3 — CID 8700752

IUPACN-[(1R)-1-(3-chlorophenyl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)N[C@H](C)c3cccc(Cl)c3)c(C)c2c1
InChIInChI=1S/C19H18ClNO3/c1-11-16-10-15(23-3)7-8-17(16)24-18(11)19(22)21-12(2)13-5-4-6-14(20)9-13/h4-10,12H,1-3H3,(H,21,22)/t12-/m1/s1
InChIKeyDNJQYFONTWWZLX-GFCCVEGCSA-N
MW343.81 g/mol
LogP4.89
Rot. Bonds4

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

N-[(1R)-1-(3-chlorophenyl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 8700752) has the molecular formula C19H18ClNO3 and a molecular weight of 343.81 g/mol. Its IUPAC name is N-[(1R)-1-(3-chlorophenyl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-chlorophenyl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
PubChem CID8700752
Molecular FormulaC19H18ClNO3
Molecular Weight343.81 g/mol
Exact Mass343.10
IUPAC NameN-[(1R)-1-(3-chlorophenyl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)N[C@H](C)c3cccc(Cl)c3)c(C)c2c1
InChIInChI=1S/C19H18ClNO3/c1-11-16-10-15(23-3)7-8-17(16)24-18(11)19(22)21-12(2)13-5-4-6-14(20)9-13/h4-10,12H,1-3H3,(H,21,22)/t12-/m1/s1
InChIKeyDNJQYFONTWWZLX-GFCCVEGCSA-N
XLogP4.89
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 51213515
N-[(1R)-1-(furan-2-yl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8856762
N-(2-amino-2-oxo-1-phenylethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 47017553
5-chloro-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7992434
diethyl 2-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]propanedioate
CID 55466367
N-(3-chloro-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2679149
5-methoxy-3-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide
CID 55964822
N-(3-acetamido-2-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 134019144
3-methyl-N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 4570219
5-chloro-3-methyl-N-[1-[4-(propanoylamino)phenyl]ethyl]-1-benzofuran-2-carboxamide
CID 46433020
N'-benzoyl-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 51155700
N-(3,5-dimethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7959819

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (CID 8700752) is N-[(1R)-1-(3-chlorophenyl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3-chlorophenyl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(3-chlorophenyl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)N[C@H](C)c3cccc(Cl)c3)c(C)c2c1.
What is the InChIKey of N-[(1R)-1-(3-chlorophenyl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is DNJQYFONTWWZLX-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18ClNO3/c1-11-16-10-15(23-3)7-8-17(16)24-18(11)19(22)21-12(2)13-5-4-6-14(20)9-13/h4-10,12H,1-3H3,(H,21,22)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(3-chlorophenyl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
N-[(1R)-1-(3-chlorophenyl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 343.81 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-chlorophenyl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8700752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).