(3-amino-5-nitro-1-benzofuran-2-yl)-phenylmethanone

C15H10N2O4 — CID 2916743

IUPAC(3-amino-5-nitro-1-benzofuran-2-yl)-phenylmethanone
SMILESNc1c(C(=O)c2ccccc2)oc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C15H10N2O4/c16-13-11-8-10(17(19)20)6-7-12(11)21-15(13)14(18)9-4-2-1-3-5-9/h1-8H,16H2
InChIKeyWFHQUIDYYGWVLY-UHFFFAOYSA-N
MW282.25 g/mol
LogP3.15
Rot. Bonds3

About (3-amino-5-nitro-1-benzofuran-2-yl)-phenylmethanone

(3-amino-5-nitro-1-benzofuran-2-yl)-phenylmethanone (PubChem CID 2916743) has the molecular formula C15H10N2O4 and a molecular weight of 282.25 g/mol. Its IUPAC name is (3-amino-5-nitro-1-benzofuran-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-amino-5-nitro-1-benzofuran-2-yl)-phenylmethanone
PubChem CID2916743
Molecular FormulaC15H10N2O4
Molecular Weight282.25 g/mol
Exact Mass282.06
IUPAC Name(3-amino-5-nitro-1-benzofuran-2-yl)-phenylmethanone
SMILESNc1c(C(=O)c2ccccc2)oc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C15H10N2O4/c16-13-11-8-10(17(19)20)6-7-12(11)21-15(13)14(18)9-4-2-1-3-5-9/h1-8H,16H2
InChIKeyWFHQUIDYYGWVLY-UHFFFAOYSA-N
XLogP3.15
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3-Amino-1-benzofuran-2-yl)(4-methylphenyl)methanone
CID 619566
2,7-Dinitrodibenzofuran
CID 94963
1-(5-Nitro-1-benzofuran-2-YL)ethanone
CID 520023
3-Aminobenzofuran-2-carboxamide
CID 600546
1-Benzofuran-2-yl(3-nitrophenyl)methanone
CID 776094
2-Nitrodibenzofuran
CID 88729
1-Nitrodibenzofuran
CID 150753
(3-Amino-1-benzofuran-2-yl)(4-fluorophenyl)methanone
CID 620323
(3-Amino-1-benzofuran-2-yl)(phenyl)methanone
CID 854225
2-Benzofurancarboxylic acid, 5-nitro-, ethyl ester
CID 1382954
1-Benzofuran-2-yl(4-methyl-3-nitrophenyl)methanone
CID 921915
Dibenzofuran, 4-nitro-
CID 150739

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-nitro-1-benzofuran-2-yl)-phenylmethanone?
The IUPAC name of (3-amino-5-nitro-1-benzofuran-2-yl)-phenylmethanone (CID 2916743) is (3-amino-5-nitro-1-benzofuran-2-yl)-phenylmethanone.
What is the SMILES notation for (3-amino-5-nitro-1-benzofuran-2-yl)-phenylmethanone?
The canonical SMILES for (3-amino-5-nitro-1-benzofuran-2-yl)-phenylmethanone is Nc1c(C(=O)c2ccccc2)oc2ccc([N+](=O)[O-])cc12.
What is the InChIKey of (3-amino-5-nitro-1-benzofuran-2-yl)-phenylmethanone?
The InChIKey is WFHQUIDYYGWVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O4/c16-13-11-8-10(17(19)20)6-7-12(11)21-15(13)14(18)9-4-2-1-3-5-9/h1-8H,16H2.
What are the key properties of (3-amino-5-nitro-1-benzofuran-2-yl)-phenylmethanone?
(3-amino-5-nitro-1-benzofuran-2-yl)-phenylmethanone has a molecular weight of 282.25 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-nitro-1-benzofuran-2-yl)-phenylmethanone is sourced from PubChem (CID 2916743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).