Methanone, (3-aminophenyl)phenyl-

C13H11NO — CID 17817

IUPAC(3-aminophenyl)-phenylmethanone
SMILESC1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)N
InChIInChI=1S/C13H11NO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H,14H2
InChIKeyFUADXEJBHCKVBN-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.60
Rot. Bonds2

About Methanone, (3-aminophenyl)phenyl-

Methanone, (3-aminophenyl)phenyl- (PubChem CID 17817) has the molecular formula C13H11NO and a molecular weight of 197.23 g/mol. Its IUPAC name is (3-aminophenyl)-phenylmethanone.

Molecular Properties

Compound NameMethanone, (3-aminophenyl)phenyl-
PubChem CID17817
Molecular FormulaC13H11NO
Molecular Weight197.23 g/mol
Exact Mass197.08
IUPAC Name(3-aminophenyl)-phenylmethanone
SMILESC1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)N
InChIInChI=1S/C13H11NO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H,14H2
InChIKeyFUADXEJBHCKVBN-UHFFFAOYSA-N
XLogP2.60
TPSA43.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity221

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Methanone, (3-aminophenyl)phenyl-?
The IUPAC name of Methanone, (3-aminophenyl)phenyl- (CID 17817) is (3-aminophenyl)-phenylmethanone.
What is the SMILES notation for Methanone, (3-aminophenyl)phenyl-?
The canonical SMILES for Methanone, (3-aminophenyl)phenyl- is C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)N.
What is the InChIKey of Methanone, (3-aminophenyl)phenyl-?
The InChIKey is FUADXEJBHCKVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H,14H2.
What are the key properties of Methanone, (3-aminophenyl)phenyl-?
Methanone, (3-aminophenyl)phenyl- has a molecular weight of 197.23 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Methanone, (3-aminophenyl)phenyl- is sourced from PubChem (CID 17817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).