N-(3,3-dichlorocyclobutyl)-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide

C20H17Cl2NO3 — CID 167854184

IUPACN-(3,3-dichlorocyclobutyl)-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2c(-c3ccccc3)c(C(=O)NC3CC(Cl)(Cl)C3)oc2c1
InChIInChI=1S/C20H17Cl2NO3/c1-25-14-7-8-15-16(9-14)26-18(17(15)12-5-3-2-4-6-12)19(24)23-13-10-20(21,22)11-13/h2-9,13H,10-11H2,1H3,(H,23,24)
InChIKeyKHFVVQAZFGCEPJ-UHFFFAOYSA-N
MW390.27 g/mol
LogP5.17
Rot. Bonds4

About N-(3,3-dichlorocyclobutyl)-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide

N-(3,3-dichlorocyclobutyl)-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide (PubChem CID 167854184) has the molecular formula C20H17Cl2NO3 and a molecular weight of 390.27 g/mol. Its IUPAC name is N-(3,3-dichlorocyclobutyl)-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3,3-dichlorocyclobutyl)-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide
PubChem CID167854184
Molecular FormulaC20H17Cl2NO3
Molecular Weight390.27 g/mol
Exact Mass389.06
IUPAC NameN-(3,3-dichlorocyclobutyl)-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2c(-c3ccccc3)c(C(=O)NC3CC(Cl)(Cl)C3)oc2c1
InChIInChI=1S/C20H17Cl2NO3/c1-25-14-7-8-15-16(9-14)26-18(17(15)12-5-3-2-4-6-12)19(24)23-13-10-20(21,22)11-13/h2-9,13H,10-11H2,1H3,(H,23,24)
InChIKeyKHFVVQAZFGCEPJ-UHFFFAOYSA-N
XLogP5.17
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.27
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide
CID 120947243
(4-aminopiperidin-1-yl)-(6-methoxy-3-phenyl-1-benzofuran-2-yl)methanone
CID 119374183
(6-methoxy-3-phenyl-1-benzofuran-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 86878769
(4-amino-3,3-dimethylpiperidin-1-yl)-(6-methoxy-3-phenyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 120817453
N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide
CID 56576859
6-methoxy-2-methyl-3-phenyl-1-benzofuran
CID 3448866
6-methoxy-N-methyl-3-phenyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride
CID 119551546
2-bromo-6-methoxy-3-phenyl-1-benzofuran
CID 21436790
6-methoxy-3-methyl-N-(oxan-3-yl)-1-benzofuran-2-carboxamide
CID 70730889
7-methoxy-N,N-dimethyl-2-oxo-4-phenylchromene-3-carboxamide
CID 177461075
9-methoxy-12-phenylbenzo[a]xanthen-4-one
CID 70908154
N-cycloheptyl-7-methoxy-4-oxochromene-2-carboxamide
CID 51998192

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dichlorocyclobutyl)-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3,3-dichlorocyclobutyl)-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide (CID 167854184) is N-(3,3-dichlorocyclobutyl)-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3,3-dichlorocyclobutyl)-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3,3-dichlorocyclobutyl)-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide is COc1ccc2c(-c3ccccc3)c(C(=O)NC3CC(Cl)(Cl)C3)oc2c1.
What is the InChIKey of N-(3,3-dichlorocyclobutyl)-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide?
The InChIKey is KHFVVQAZFGCEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO3/c1-25-14-7-8-15-16(9-14)26-18(17(15)12-5-3-2-4-6-12)19(24)23-13-10-20(21,22)11-13/h2-9,13H,10-11H2,1H3,(H,23,24).
What are the key properties of N-(3,3-dichlorocyclobutyl)-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide?
N-(3,3-dichlorocyclobutyl)-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide has a molecular weight of 390.27 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dichlorocyclobutyl)-6-methoxy-3-phenyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 167854184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).