3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide

C15H16N2O2 — CID 115465981

IUPAC3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide
SMILESNC(=O)c1cccc(NC2CCCc3occc32)c1
InChIInChI=1S/C15H16N2O2/c16-15(18)10-3-1-4-11(9-10)17-13-5-2-6-14-12(13)7-8-19-14/h1,3-4,7-9,13,17H,2,5-6H2,(H2,16,18)
InChIKeyDQFYJMJOKNTSTG-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.87
Rot. Bonds3

About 3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide

3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide (PubChem CID 115465981) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide.

Molecular Properties

Compound Name3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide
PubChem CID115465981
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide
SMILESNC(=O)c1cccc(NC2CCCc3occc32)c1
InChIInChI=1S/C15H16N2O2/c16-15(18)10-3-1-4-11(9-10)17-13-5-2-6-14-12(13)7-8-19-14/h1,3-4,7-9,13,17H,2,5-6H2,(H2,16,18)
InChIKeyDQFYJMJOKNTSTG-UHFFFAOYSA-N
XLogP2.87
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol
CID 113315131
3-fluoro-4-methyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide
CID 115466263
N-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115465964
N,N-dimethyl-4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide
CID 115466121
4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylsulfamoyl)benzamide
CID 86924126
3-(2,3-dihydro-1H-inden-1-ylamino)benzamide
CID 43202872
3-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 86923832
N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115465942
1-phenyl-3-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea
CID 941313
4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzenesulfonamide
CID 115465939
1-(3-chlorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78891837
4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)butanamide
CID 115466341

Frequently Asked Questions

What is the IUPAC name of 3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide?
The IUPAC name of 3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide (CID 115465981) is 3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide.
What is the SMILES notation for 3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide?
The canonical SMILES for 3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide is NC(=O)c1cccc(NC2CCCc3occc32)c1.
What is the InChIKey of 3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide?
The InChIKey is DQFYJMJOKNTSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c16-15(18)10-3-1-4-11(9-10)17-13-5-2-6-14-12(13)7-8-19-14/h1,3-4,7-9,13,17H,2,5-6H2,(H2,16,18).
What are the key properties of 3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide?
3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide has a molecular weight of 256.31 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide is sourced from PubChem (CID 115465981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).