3-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide

C20H18N2O4 — CID 3243757

IUPAC3-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C2CC2)cc1
InChIInChI=1S/C20H18N2O4/c1-25-14-10-8-13(9-11-14)21-20(24)18-17(22-19(23)12-6-7-12)15-4-2-3-5-16(15)26-18/h2-5,8-12H,6-7H2,1H3,(H,21,24)(H,22,23)
InChIKeyNXOFLKSZXPKUKS-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.04
Rot. Bonds5

About 3-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide

3-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide (PubChem CID 3243757) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
PubChem CID3243757
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name3-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C2CC2)cc1
InChIInChI=1S/C20H18N2O4/c1-25-14-10-8-13(9-11-14)21-20(24)18-17(22-19(23)12-6-7-12)15-4-2-3-5-16(15)26-18/h2-5,8-12H,6-7H2,1H3,(H,21,24)(H,22,23)
InChIKeyNXOFLKSZXPKUKS-UHFFFAOYSA-N
XLogP4.04
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-1-benzofuran-2-carboxamide
CID 675185
N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 725640
N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 725663
N-(2-Benzoyl-3-benzofuranyl)acetamide
CID 616884
3-Amino-N-(4-chlorophenyl)-1-benzofuran-2-carboxamide
CID 1083209
N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CID 725651
3-methyl-N-phenyl-N-(3-(piperidin-1-yl)propyl)benzofuran-2-carboxamide
CID 71452341
N-[4-(hexanoylamino)-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 1868107
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzofuran-2-carboxamide
CID 10092819
N-(2-Benzoyl-benzofuran-3-yl)-2-(4-methyl-piperazin-1-yl)-acetamide
CID 574801
Benzofuran-2-carboxylic acid (4-amino-2-methoxy-phenyl)-amide
CID 675397
N-(3,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 723332

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide (CID 3243757) is 3-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide is COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C2CC2)cc1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is NXOFLKSZXPKUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-25-14-10-8-13(9-11-14)21-20(24)18-17(22-19(23)12-6-7-12)15-4-2-3-5-16(15)26-18/h2-5,8-12H,6-7H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide?
3-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 350.37 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 3243757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).