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3-Methoxy-N-phenylbenzamide

CAT: 0572-TRC-M266095-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M266095-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6833-23-4
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
COc1cccc(c1)C(=O)Nc2ccccc2
Molecular Formula
C14 H13 N O2
Molecular Weight
227.26
InChI
InChI=1S/C14H13NO2/c1-17-13-9-5-6-11(10-13)14(16)15-12-7-3-2-4-8-12/h2-10H,1H3,(H,15,16)
Additionnal Information
IUPAC name: 3-methoxy-N-phenylbenzamide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

3-methoxy-N-phenylbenzamide
CAS Number6833-23-4
PubChem CID835330
IUPAC Name3-methoxy-N-phenylbenzamide
Molecular FormulaC14H13NO2
Molecular Weight227.26
XLogP2.6
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity249
SMILES
COC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C14H13NO2/c1-17-13-9-5-6-11(10-13)14(16)15-12-7-3-2-4-8-12/h2-10H,1H3,(H,15,16)
InChIKey
OAAVWHUTJIJKOU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-methoxy-N-phenylbenzamide
CAS: 6833-23-4
CID: 835330
Formula: C14H13NO2
MW: 227.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight227.26
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass227.094628657
Monoisotopic Mass227.094628657
Topological Polar Surface Area38.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity249
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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