[3-amino-6-(3-aminophenyl)-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone

C21H14Cl2N2O2 — CID 10194248

IUPAC[3-amino-6-(3-aminophenyl)-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone
SMILESNc1cccc(-c2ccc3c(N)c(C(=O)c4ccc(Cl)cc4Cl)oc3c2)c1
InChIInChI=1S/C21H14Cl2N2O2/c22-13-5-7-15(17(23)10-13)20(26)21-19(25)16-6-4-12(9-18(16)27-21)11-2-1-3-14(24)8-11/h1-10H,24-25H2
InChIKeyNJPJRAKQCLNUIM-UHFFFAOYSA-N
MW397.26 g/mol
LogP5.80
Rot. Bonds3

About [3-amino-6-(3-aminophenyl)-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone

[3-amino-6-(3-aminophenyl)-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone (PubChem CID 10194248) has the molecular formula C21H14Cl2N2O2 and a molecular weight of 397.26 g/mol. Its IUPAC name is [3-amino-6-(3-aminophenyl)-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name[3-amino-6-(3-aminophenyl)-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone
PubChem CID10194248
Molecular FormulaC21H14Cl2N2O2
Molecular Weight397.26 g/mol
Exact Mass396.04
IUPAC Name[3-amino-6-(3-aminophenyl)-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone
SMILESNc1cccc(-c2ccc3c(N)c(C(=O)c4ccc(Cl)cc4Cl)oc3c2)c1
InChIInChI=1S/C21H14Cl2N2O2/c22-13-5-7-15(17(23)10-13)20(26)21-19(25)16-6-4-12(9-18(16)27-21)11-2-1-3-14(24)8-11/h1-10H,24-25H2
InChIKeyNJPJRAKQCLNUIM-UHFFFAOYSA-N
XLogP5.80
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.26
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-Amino-1-benzofuran-2-yl)(4-chlorophenyl)methanone
CID 623089
(3-Amino-5-chloro-1-benzofuran-2-yl)(phenyl)methanone
CID 623090
(3-Amino-1-benzofuran-2-YL)((1,1'-biphenyl)-4-YL)methanone
CID 10710305
(3-Amino-1-benzofuran-2-YL)(2,4-dichlorophenyl)methanone
CID 16778680
3-(2,4-dichlorobenzamido)-N-(2-fluorophenyl)benzofuran-2-carboxamide
CID 16814476
3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]-N-methylbenzamide
CID 10287898
[3-Amino-6-(3-fluoro-5-nitrophenyl)-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone
CID 10310407
3-[3-Amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]benzamide
CID 17978720
2-[3-[3-Amino-2-(2,4-dichlorobenzoyl)-1-benzofuran-6-yl]phenyl]ethanimidamide;2,2,2-trifluoroacetic acid
CID 17978725
(3-Amino-4-chloro-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2,3-difluorophenyl)methanone
CID 58759564
(3-amino-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)-[2,6-dichloro-4-(trifluoromethyl)phenyl]methanone
CID 58759607
(3-Amino-4-chloro-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-fluorophenyl)methanone
CID 58759652

Frequently Asked Questions

What is the IUPAC name of [3-amino-6-(3-aminophenyl)-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone?
The IUPAC name of [3-amino-6-(3-aminophenyl)-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone (CID 10194248) is [3-amino-6-(3-aminophenyl)-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone.
What is the SMILES notation for [3-amino-6-(3-aminophenyl)-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone?
The canonical SMILES for [3-amino-6-(3-aminophenyl)-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone is Nc1cccc(-c2ccc3c(N)c(C(=O)c4ccc(Cl)cc4Cl)oc3c2)c1.
What is the InChIKey of [3-amino-6-(3-aminophenyl)-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone?
The InChIKey is NJPJRAKQCLNUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N2O2/c22-13-5-7-15(17(23)10-13)20(26)21-19(25)16-6-4-12(9-18(16)27-21)11-2-1-3-14(24)8-11/h1-10H,24-25H2.
What are the key properties of [3-amino-6-(3-aminophenyl)-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone?
[3-amino-6-(3-aminophenyl)-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone has a molecular weight of 397.26 g/mol, XLogP of 5.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(3-aminophenyl)-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone is sourced from PubChem (CID 10194248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).