(3-amino-1-benzofuran-2-yl)-(4-methylphenyl)methanone

C16H13NO2 — CID 619566

IUPAC(3-amino-1-benzofuran-2-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2oc3ccccc3c2N)cc1
InChIInChI=1S/C16H13NO2/c1-10-6-8-11(9-7-10)15(18)16-14(17)12-4-2-3-5-13(12)19-16/h2-9H,17H2,1H3
InChIKeyXWDKAEJDRNLHKY-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.55
Rot. Bonds2

About (3-amino-1-benzofuran-2-yl)-(4-methylphenyl)methanone

(3-amino-1-benzofuran-2-yl)-(4-methylphenyl)methanone (PubChem CID 619566) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is (3-amino-1-benzofuran-2-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(3-amino-1-benzofuran-2-yl)-(4-methylphenyl)methanone
PubChem CID619566
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name(3-amino-1-benzofuran-2-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2oc3ccccc3c2N)cc1
InChIInChI=1S/C16H13NO2/c1-10-6-8-11(9-7-10)15(18)16-14(17)12-4-2-3-5-13(12)19-16/h2-9H,17H2,1H3
InChIKeyXWDKAEJDRNLHKY-UHFFFAOYSA-N
XLogP3.55
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-benzofuran-2-carboxamide
CID 600546
2-[[2-(4-methylbenzoyl)-1-benzofuran-3-yl]amino]-1-(4-methylphenyl)ethanone
CID 110825903
(3-amino-1-benzofuran-2-yl)-(2-bromophenyl)methanone
CID 16770285
[3-[[amino(naphthalen-1-yl)methyl]amino]-1-benzofuran-2-yl]-(4-methylphenyl)methanone
CID 110827194
(3-methyl-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanone
CID 28880618
N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]thiophene-3-carboxamide
CID 52904616
N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 4065338
(3-amino-1-benzofuran-2-yl)-(2,5-dimethoxyphenyl)methanone
CID 622395
3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 27608073
tert-butyl 3-amino-1-benzofuran-2-carboxylate
CID 67529854
N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-(4-methylphenoxy)acetamide
CID 5192279
(3-amino-1-benzofuran-2-yl)-cyclopropylmethanone
CID 608478

Frequently Asked Questions

What is the IUPAC name of (3-amino-1-benzofuran-2-yl)-(4-methylphenyl)methanone?
The IUPAC name of (3-amino-1-benzofuran-2-yl)-(4-methylphenyl)methanone (CID 619566) is (3-amino-1-benzofuran-2-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (3-amino-1-benzofuran-2-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (3-amino-1-benzofuran-2-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2oc3ccccc3c2N)cc1.
What is the InChIKey of (3-amino-1-benzofuran-2-yl)-(4-methylphenyl)methanone?
The InChIKey is XWDKAEJDRNLHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-10-6-8-11(9-7-10)15(18)16-14(17)12-4-2-3-5-13(12)19-16/h2-9H,17H2,1H3.
What are the key properties of (3-amino-1-benzofuran-2-yl)-(4-methylphenyl)methanone?
(3-amino-1-benzofuran-2-yl)-(4-methylphenyl)methanone has a molecular weight of 251.29 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1-benzofuran-2-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 619566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).