(2-aminophenyl)-phenylmethanone;diphenylmethanone

C26H21NO2 — CID 90112643

IUPAC(2-aminophenyl)-phenylmethanone;diphenylmethanone
SMILESNc1ccccc1C(=O)c1ccccc1.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H11NO.C13H10O/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-9H,14H2;1-10H
InChIKeyMQATUNJJDJDBBU-UHFFFAOYSA-N
MW379.46 g/mol
LogP5.42
Rot. Bonds4

About (2-aminophenyl)-phenylmethanone;diphenylmethanone

(2-aminophenyl)-phenylmethanone;diphenylmethanone (PubChem CID 90112643) has the molecular formula C26H21NO2 and a molecular weight of 379.46 g/mol. Its IUPAC name is (2-aminophenyl)-phenylmethanone;diphenylmethanone.

Molecular Properties

Compound Name(2-aminophenyl)-phenylmethanone;diphenylmethanone
PubChem CID90112643
Molecular FormulaC26H21NO2
Molecular Weight379.46 g/mol
Exact Mass379.16
IUPAC Name(2-aminophenyl)-phenylmethanone;diphenylmethanone
SMILESNc1ccccc1C(=O)c1ccccc1.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H11NO.C13H10O/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-9H,14H2;1-10H
InChIKeyMQATUNJJDJDBBU-UHFFFAOYSA-N
XLogP5.42
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-aminophenyl)-phenylmethanone
CID 158207972
diphenylmethanone
CID 3102
[2-(2-aminoanilino)phenyl]-phenylmethanone
CID 134442621
(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
cobalt(2+);diphenylmethanone
CID 19033779
disodium;diphenylmethanone
CID 19380838
[3-amino-2-[4-(2-amino-6-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 19828743
CID 172796646
CID 172796646
(4-aminophenyl)-phenylmethanone
CID 14346
bis(2-aminobenzoic acid);nickel
CID 73156847

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-phenylmethanone;diphenylmethanone?
The IUPAC name of (2-aminophenyl)-phenylmethanone;diphenylmethanone (CID 90112643) is (2-aminophenyl)-phenylmethanone;diphenylmethanone.
What is the SMILES notation for (2-aminophenyl)-phenylmethanone;diphenylmethanone?
The canonical SMILES for (2-aminophenyl)-phenylmethanone;diphenylmethanone is Nc1ccccc1C(=O)c1ccccc1.O=C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-aminophenyl)-phenylmethanone;diphenylmethanone?
The InChIKey is MQATUNJJDJDBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO.C13H10O/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-9H,14H2;1-10H.
What are the key properties of (2-aminophenyl)-phenylmethanone;diphenylmethanone?
(2-aminophenyl)-phenylmethanone;diphenylmethanone has a molecular weight of 379.46 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-phenylmethanone;diphenylmethanone is sourced from PubChem (CID 90112643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).