[3-[4-(dimethylamino)phenyl]-1-benzofuran-2-yl]-phenylmethanone

C23H19NO2 — CID 57336949

IUPAC[3-[4-(dimethylamino)phenyl]-1-benzofuran-2-yl]-phenylmethanone
SMILESCN(C)c1ccc(-c2c(C(=O)c3ccccc3)oc3ccccc23)cc1
InChIInChI=1S/C23H19NO2/c1-24(2)18-14-12-16(13-15-18)21-19-10-6-7-11-20(19)26-23(21)22(25)17-8-4-3-5-9-17/h3-15H,1-2H3
InChIKeyKFYJQLHWHDVGSW-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.40
Rot. Bonds4

About [3-[4-(dimethylamino)phenyl]-1-benzofuran-2-yl]-phenylmethanone

[3-[4-(dimethylamino)phenyl]-1-benzofuran-2-yl]-phenylmethanone (PubChem CID 57336949) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is [3-[4-(dimethylamino)phenyl]-1-benzofuran-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[4-(dimethylamino)phenyl]-1-benzofuran-2-yl]-phenylmethanone
PubChem CID57336949
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name[3-[4-(dimethylamino)phenyl]-1-benzofuran-2-yl]-phenylmethanone
SMILESCN(C)c1ccc(-c2c(C(=O)c3ccccc3)oc3ccccc23)cc1
InChIInChI=1S/C23H19NO2/c1-24(2)18-14-12-16(13-15-18)21-19-10-6-7-11-20(19)26-23(21)22(25)17-8-4-3-5-9-17/h3-15H,1-2H3
InChIKeyKFYJQLHWHDVGSW-UHFFFAOYSA-N
XLogP5.40
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl-[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-2-yl]methanone
CID 57336948
[3-(4-chlorophenyl)-1-benzofuran-2-yl]-(4-hydroxyphenyl)methanone
CID 21435341
(4-chlorophenyl)-[3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanone
CID 10713712
8-[4-(dimethylamino)benzoyl]-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
CID 58008436
3-phenyl-1-benzofuran-2-carboxylic acid
CID 13432338
[3-[4-[4-[(E)-N-(1-hydroxyethoxy)-C-methylcarbonimidoyl]phenyl]sulfanylphenyl]-1-benzofuran-2-yl]-phenylmethanone
CID 166894147
[4-(dimethylamino)phenyl]-phenylmethanone
CID 10737
3-[[4-(dimethylamino)benzoyl]amino]-1-benzofuran-2-carboxamide
CID 5051440
3-benzoyl-4-phenylchromen-2-one
CID 629843
(3-amino-1-benzofuran-2-yl)-(4-methylphenyl)methanone
CID 619566
2-benzoyl-1-benzofuran-3-sulfonamide
CID 70614621
N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9259414

Frequently Asked Questions

What is the IUPAC name of [3-[4-(dimethylamino)phenyl]-1-benzofuran-2-yl]-phenylmethanone?
The IUPAC name of [3-[4-(dimethylamino)phenyl]-1-benzofuran-2-yl]-phenylmethanone (CID 57336949) is [3-[4-(dimethylamino)phenyl]-1-benzofuran-2-yl]-phenylmethanone.
What is the SMILES notation for [3-[4-(dimethylamino)phenyl]-1-benzofuran-2-yl]-phenylmethanone?
The canonical SMILES for [3-[4-(dimethylamino)phenyl]-1-benzofuran-2-yl]-phenylmethanone is CN(C)c1ccc(-c2c(C(=O)c3ccccc3)oc3ccccc23)cc1.
What is the InChIKey of [3-[4-(dimethylamino)phenyl]-1-benzofuran-2-yl]-phenylmethanone?
The InChIKey is KFYJQLHWHDVGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c1-24(2)18-14-12-16(13-15-18)21-19-10-6-7-11-20(19)26-23(21)22(25)17-8-4-3-5-9-17/h3-15H,1-2H3.
What are the key properties of [3-[4-(dimethylamino)phenyl]-1-benzofuran-2-yl]-phenylmethanone?
[3-[4-(dimethylamino)phenyl]-1-benzofuran-2-yl]-phenylmethanone has a molecular weight of 341.41 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(dimethylamino)phenyl]-1-benzofuran-2-yl]-phenylmethanone is sourced from PubChem (CID 57336949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).