2-amino-5-benzoylbenzaldehyde

C14H11NO2 — CID 58625138

IUPAC2-amino-5-benzoylbenzaldehyde
SMILESNc1ccc(C(=O)c2ccccc2)cc1C=O
InChIInChI=1S/C14H11NO2/c15-13-7-6-11(8-12(13)9-16)14(17)10-4-2-1-3-5-10/h1-9H,15H2
InChIKeySMITZHOJRPPYNT-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.31
Rot. Bonds3

About 2-amino-5-benzoylbenzaldehyde

2-amino-5-benzoylbenzaldehyde (PubChem CID 58625138) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-amino-5-benzoylbenzaldehyde.

Molecular Properties

Compound Name2-amino-5-benzoylbenzaldehyde
PubChem CID58625138
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name2-amino-5-benzoylbenzaldehyde
SMILESNc1ccc(C(=O)c2ccccc2)cc1C=O
InChIInChI=1S/C14H11NO2/c15-13-7-6-11(8-12(13)9-16)14(17)10-4-2-1-3-5-10/h1-9H,15H2
InChIKeySMITZHOJRPPYNT-UHFFFAOYSA-N
XLogP2.31
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-benzoylphthalaldehyde
CID 175060465
disodium;diphenylmethanone
CID 19380838
(3-amino-4-fluorophenyl)-phenylmethanone
CID 18962631
[3-amino-4-[(2-amino-4-benzoylphenyl)disulfanyl]phenyl]-phenylmethanone
CID 46862067
(4-amino-3-methylphenyl)-(4-phenylphenyl)methanone
CID 91678510
(4-aminophenyl)-phenylmethanone
CID 14346
(3-aminophenyl)-phenylmethanone
CID 17817
diphenylmethanone
CID 3102
6-benzoylnaphthalene-2-carbaldehyde
CID 160521224
[3-amino-4-(trifluoromethyl)phenyl]-phenylmethanone
CID 10849266
cobalt(2+);diphenylmethanone
CID 19033779
bis(diphenylmethanone);dihydrochloride
CID 69107757

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-benzoylbenzaldehyde?
The IUPAC name of 2-amino-5-benzoylbenzaldehyde (CID 58625138) is 2-amino-5-benzoylbenzaldehyde.
What is the SMILES notation for 2-amino-5-benzoylbenzaldehyde?
The canonical SMILES for 2-amino-5-benzoylbenzaldehyde is Nc1ccc(C(=O)c2ccccc2)cc1C=O.
What is the InChIKey of 2-amino-5-benzoylbenzaldehyde?
The InChIKey is SMITZHOJRPPYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c15-13-7-6-11(8-12(13)9-16)14(17)10-4-2-1-3-5-10/h1-9H,15H2.
What are the key properties of 2-amino-5-benzoylbenzaldehyde?
2-amino-5-benzoylbenzaldehyde has a molecular weight of 225.25 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-benzoylbenzaldehyde is sourced from PubChem (CID 58625138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).