N-[2-methyl-4-(methylamino)phenyl]-1-benzofuran-2-carboxamide

C17H16N2O2 — CID 91677835

IUPACN-[2-methyl-4-(methylamino)phenyl]-1-benzofuran-2-carboxamide
SMILESCNc1ccc(NC(=O)c2cc3ccccc3o2)c(C)c1
InChIInChI=1S/C17H16N2O2/c1-11-9-13(18-2)7-8-14(11)19-17(20)16-10-12-5-3-4-6-15(12)21-16/h3-10,18H,1-2H3,(H,19,20)
InChIKeyRZPJWCLWBNLAHP-UHFFFAOYSA-N
MW280.33 g/mol
LogP4.04
Rot. Bonds3

About N-[2-methyl-4-(methylamino)phenyl]-1-benzofuran-2-carboxamide

N-[2-methyl-4-(methylamino)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 91677835) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[2-methyl-4-(methylamino)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-4-(methylamino)phenyl]-1-benzofuran-2-carboxamide
PubChem CID91677835
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-[2-methyl-4-(methylamino)phenyl]-1-benzofuran-2-carboxamide
SMILESCNc1ccc(NC(=O)c2cc3ccccc3o2)c(C)c1
InChIInChI=1S/C17H16N2O2/c1-11-9-13(18-2)7-8-14(11)19-17(20)16-10-12-5-3-4-6-15(12)21-16/h3-10,18H,1-2H3,(H,19,20)
InChIKeyRZPJWCLWBNLAHP-UHFFFAOYSA-N
XLogP4.04
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(butanoylamino)-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 3347136
N-[2-methyl-4-[(2-phenoxyacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 3278183
N-[4-[(3-methoxynaphthalene-2-carbonyl)amino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 21213329
N-[2-methyl-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 17117632
N-[2-methyl-4-(methylamino)phenyl]furan-2-carboxamide
CID 91677831
N-[4-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 21213374
N-[4-[(2,5-diiodobenzoyl)carbamothioylamino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 21232936
N-[2-methyl-4-[(3-propoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 21213342
N-[2-methyl-4-[[3-(phenoxymethyl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 3374467
N-(4-iodophenyl)-1-benzofuran-2-carboxamide
CID 986281
N-[4-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 21214835
N-[4-[[2-(2,4-dimethylphenoxy)acetyl]carbamothioylamino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 21215394

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(methylamino)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-methyl-4-(methylamino)phenyl]-1-benzofuran-2-carboxamide (CID 91677835) is N-[2-methyl-4-(methylamino)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-methyl-4-(methylamino)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-methyl-4-(methylamino)phenyl]-1-benzofuran-2-carboxamide is CNc1ccc(NC(=O)c2cc3ccccc3o2)c(C)c1.
What is the InChIKey of N-[2-methyl-4-(methylamino)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is RZPJWCLWBNLAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-9-13(18-2)7-8-14(11)19-17(20)16-10-12-5-3-4-6-15(12)21-16/h3-10,18H,1-2H3,(H,19,20).
What are the key properties of N-[2-methyl-4-(methylamino)phenyl]-1-benzofuran-2-carboxamide?
N-[2-methyl-4-(methylamino)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(methylamino)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 91677835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).