(2-aminophenyl)-phenylmethanone

C26H22N2O2 — CID 158207972

IUPAC(2-aminophenyl)-phenylmethanone
SMILESNc1ccccc1C(=O)c1ccccc1.Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/2C13H11NO/c2*14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h2*1-9H,14H2
InChIKeyGBSNBUOOPIPHHZ-UHFFFAOYSA-N
MW394.47 g/mol
LogP5.00
Rot. Bonds4

About (2-aminophenyl)-phenylmethanone

(2-aminophenyl)-phenylmethanone (PubChem CID 158207972) has the molecular formula C26H22N2O2 and a molecular weight of 394.47 g/mol. Its IUPAC name is (2-aminophenyl)-phenylmethanone.

Molecular Properties

Compound Name(2-aminophenyl)-phenylmethanone
PubChem CID158207972
Molecular FormulaC26H22N2O2
Molecular Weight394.47 g/mol
Exact Mass394.17
IUPAC Name(2-aminophenyl)-phenylmethanone
SMILESNc1ccccc1C(=O)c1ccccc1.Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/2C13H11NO/c2*14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h2*1-9H,14H2
InChIKeyGBSNBUOOPIPHHZ-UHFFFAOYSA-N
XLogP5.00
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (2-aminophenyl)-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-aminophenyl)-phenylmethanone;diphenylmethanone
CID 90112643
[2-(2-aminoanilino)phenyl]-phenylmethanone
CID 134442621
[3-amino-2-[4-(2-amino-6-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 19828743
CID 172796646
CID 172796646
bis(2-aminobenzoic acid);nickel
CID 73156847
2-aminobenzoic acid;azane
CID 21425790
2-aminobenzoic acid;hydrate
CID 70144361
2-[2-(2-aminophenyl)-1,2-diphenylethenyl]aniline
CID 162512010
4-(2-aminobenzoyl)benzenesulfonohydrazide
CID 141007551
(2,4-diamino-3-benzoylphenyl)-phenylmethanone
CID 70481575
2-aminobenzamide;benzenecarbothioamide
CID 175524927
2-aminobenzoic acid;urea
CID 158027537

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-phenylmethanone?
The IUPAC name of (2-aminophenyl)-phenylmethanone (CID 158207972) is (2-aminophenyl)-phenylmethanone.
What is the SMILES notation for (2-aminophenyl)-phenylmethanone?
The canonical SMILES for (2-aminophenyl)-phenylmethanone is Nc1ccccc1C(=O)c1ccccc1.Nc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of (2-aminophenyl)-phenylmethanone?
The InChIKey is GBSNBUOOPIPHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H11NO/c2*14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h2*1-9H,14H2.
What are the key properties of (2-aminophenyl)-phenylmethanone?
(2-aminophenyl)-phenylmethanone has a molecular weight of 394.47 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-phenylmethanone is sourced from PubChem (CID 158207972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).