(4-amino-3-nitrophenyl)-phenylmethanone

C13H10N2O3 — CID 596970

IUPAC(4-amino-3-nitrophenyl)-phenylmethanone
SMILESNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H10N2O3/c14-11-7-6-10(8-12(11)15(17)18)13(16)9-4-2-1-3-5-9/h1-8H,14H2
InChIKeyNGOOFAMQPUEDJM-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.41
Rot. Bonds3

About (4-amino-3-nitrophenyl)-phenylmethanone

(4-amino-3-nitrophenyl)-phenylmethanone (PubChem CID 596970) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is (4-amino-3-nitrophenyl)-phenylmethanone.

Molecular Properties

Compound Name(4-amino-3-nitrophenyl)-phenylmethanone
PubChem CID596970
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name(4-amino-3-nitrophenyl)-phenylmethanone
SMILESNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H10N2O3/c14-11-7-6-10(8-12(11)15(17)18)13(16)9-4-2-1-3-5-9/h1-8H,14H2
InChIKeyNGOOFAMQPUEDJM-UHFFFAOYSA-N
XLogP2.41
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Nitrochalcone
CID 5377323
p-Nitroacetophenone
CID 7487
Aloe barbadensis extract
CID 5712222
1,2-Bis(3-nitrophenyl)-1,2-ethanedione
CID 101375
2-Propen-1-one, 3-(3-nitrophenyl)-1-phenyl-
CID 5369664
1-(4-Methyl-3-nitro-phenyl)-2-phenyl-ethane-1,2-dione
CID 4384851
1-(4-Amino-phenyl)-2-phenyl-ethane-1,2-dione
CID 577464
4-Nitrobenzil
CID 283893
1,2-Bis(4-nitrophenyl)ethane-1,2-dione
CID 1812008
2-Amino-5-nitrobenzophenone
CID 15681
7-Nitro-1-tetralone
CID 38445
Methanone, (4-nitrophenyl)phenyl-
CID 70839

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-nitrophenyl)-phenylmethanone?
The IUPAC name of (4-amino-3-nitrophenyl)-phenylmethanone (CID 596970) is (4-amino-3-nitrophenyl)-phenylmethanone.
What is the SMILES notation for (4-amino-3-nitrophenyl)-phenylmethanone?
The canonical SMILES for (4-amino-3-nitrophenyl)-phenylmethanone is Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of (4-amino-3-nitrophenyl)-phenylmethanone?
The InChIKey is NGOOFAMQPUEDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c14-11-7-6-10(8-12(11)15(17)18)13(16)9-4-2-1-3-5-9/h1-8H,14H2.
What are the key properties of (4-amino-3-nitrophenyl)-phenylmethanone?
(4-amino-3-nitrophenyl)-phenylmethanone has a molecular weight of 242.23 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-nitrophenyl)-phenylmethanone is sourced from PubChem (CID 596970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).