4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]benzamide

C17H18N2O2 — CID 66362487

IUPAC4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]benzamide
SMILESCc1ccc2c(c1)CC(CNc1ccc(C(N)=O)cc1)O2
InChIInChI=1S/C17H18N2O2/c1-11-2-7-16-13(8-11)9-15(21-16)10-19-14-5-3-12(4-6-14)17(18)20/h2-8,15,19H,9-10H2,1H3,(H2,18,20)
InChIKeyCZMXVFFFIFXENC-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.51
Rot. Bonds4

About 4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]benzamide

4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]benzamide (PubChem CID 66362487) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]benzamide.

Molecular Properties

Compound Name4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]benzamide
PubChem CID66362487
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]benzamide
SMILESCc1ccc2c(c1)CC(CNc1ccc(C(N)=O)cc1)O2
InChIInChI=1S/C17H18N2O2/c1-11-2-7-16-13(8-11)9-15(21-16)10-19-14-5-3-12(4-6-14)17(18)20/h2-8,15,19H,9-10H2,1H3,(H2,18,20)
InChIKeyCZMXVFFFIFXENC-UHFFFAOYSA-N
XLogP2.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]aniline
CID 66362870
3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]propanamide
CID 66361152
N-(4-carbamoylphenyl)-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide
CID 139007058
4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)benzoic acid
CID 62233384
4-amino-3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)benzamide
CID 63356612
3,3-dimethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
CID 104828148
2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]ethanol
CID 66359994
2-ethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]butanoic acid
CID 79803697
4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-5-yl]benzamide
CID 118759725
2-iodo-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]aniline
CID 66361533
3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propanoic acid
CID 66360253
N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]propane-1,3-diamine
CID 66360006

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]benzamide?
The IUPAC name of 4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]benzamide (CID 66362487) is 4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]benzamide.
What is the SMILES notation for 4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]benzamide?
The canonical SMILES for 4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]benzamide is Cc1ccc2c(c1)CC(CNc1ccc(C(N)=O)cc1)O2.
What is the InChIKey of 4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]benzamide?
The InChIKey is CZMXVFFFIFXENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-11-2-7-16-13(8-11)9-15(21-16)10-19-14-5-3-12(4-6-14)17(18)20/h2-8,15,19H,9-10H2,1H3,(H2,18,20).
What are the key properties of 4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]benzamide?
4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]benzamide has a molecular weight of 282.34 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]benzamide is sourced from PubChem (CID 66362487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).