N-[2-(methylaminomethyl)phenyl]-1-benzofuran-2-carboxamide

C17H16N2O2 — CID 43600967

IUPACN-[2-(methylaminomethyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCNCc1ccccc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C17H16N2O2/c1-18-11-13-7-2-4-8-14(13)19-17(20)16-10-12-6-3-5-9-15(12)21-16/h2-10,18H,11H2,1H3,(H,19,20)
InChIKeyHZWWKWHGLLPTME-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.40
Rot. Bonds4

About N-[2-(methylaminomethyl)phenyl]-1-benzofuran-2-carboxamide

N-[2-(methylaminomethyl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 43600967) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[2-(methylaminomethyl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(methylaminomethyl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID43600967
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-[2-(methylaminomethyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCNCc1ccccc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C17H16N2O2/c1-18-11-13-7-2-4-8-14(13)19-17(20)16-10-12-6-3-5-9-15(12)21-16/h2-10,18H,11H2,1H3,(H,19,20)
InChIKeyHZWWKWHGLLPTME-UHFFFAOYSA-N
XLogP3.40
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-ethylphenyl)-1-benzofuran-2-carboxamide
CID 80999240
N-(2-phenylphenyl)-1-benzofuran-2-carboxamide
CID 2473887
N-[2-(methylaminomethyl)phenyl]-5-nitrofuran-2-carboxamide
CID 43600991
N-[2-methyl-4-(methylamino)phenyl]-1-benzofuran-2-carboxamide
CID 91677835
N-(2-methylquinolin-8-yl)-1-benzofuran-2-carboxamide
CID 2996037
N-(2-phenoxyphenyl)-1-benzofuran-2-carboxamide
CID 2497370
N-(4-iodophenyl)-1-benzofuran-2-carboxamide
CID 986281
N-(2-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide
CID 24697022
3,4-bis(1-benzofuran-2-carbonylamino)benzoic acid
CID 17296766
N-(2-ethylphenyl)-7-methyl-1-benzofuran-2-carboxamide
CID 48981916
N-[2-(3-methoxypropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 6493124
1-(1-benzofuran-2-yl)-2-(methylamino)ethanone;ethane
CID 171632781

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylaminomethyl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(methylaminomethyl)phenyl]-1-benzofuran-2-carboxamide (CID 43600967) is N-[2-(methylaminomethyl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(methylaminomethyl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(methylaminomethyl)phenyl]-1-benzofuran-2-carboxamide is CNCc1ccccc1NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[2-(methylaminomethyl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is HZWWKWHGLLPTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-18-11-13-7-2-4-8-14(13)19-17(20)16-10-12-6-3-5-9-15(12)21-16/h2-10,18H,11H2,1H3,(H,19,20).
What are the key properties of N-[2-(methylaminomethyl)phenyl]-1-benzofuran-2-carboxamide?
N-[2-(methylaminomethyl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylaminomethyl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 43600967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).