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PARP10-IN-3

CAT: 0607-A9017-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-A9017-10Size:10 mg
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CAS Number
2225800-19-9
Product Name Alternative
3-(4-carbamoylphenoxy)benzamide
Purity
0.98
Solubility
Soluble in DMSO
Smiles
NC(C1=CC=CC(OC2=CC=C(C(N)=O)C=C2)=C1)=O
Molecular Formula
C14H12N2O3
Molecular Weight
256.26
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

3-(4-Carbamoylphenoxy)benzamide
CAS Number2225800-19-9
PubChem CID69845715
IUPAC Name3-(4-carbamoylphenoxy)benzamide
Molecular FormulaC14H12N2O3
Molecular Weight256.26
XLogP2.1
Topological Polar Surface Area95.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity338
SMILES
C1=CC(=CC(=C1)OC2=CC=C(C=C2)C(=O)N)C(=O)N
InChI
InChI=1S/C14H12N2O3/c15-13(17)9-4-6-11(7-5-9)19-12-3-1-2-10(8-12)14(16)18/h1-8H,(H2,15,17)(H2,16,18)
InChIKey
PMOXYDXLQIUWHL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Carbamoylphenoxy)benzamide
CAS: 2225800-19-9
CID: 69845715
Formula: C14H12N2O3
MW: 256.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight256.26
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass256.08479225
Monoisotopic Mass256.08479225
Topological Polar Surface Area95.4 Ų
Heavy Atom Count19
Formal Charge0
Complexity338
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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