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N- (4-Methylphenyl) benzamide

CAT: 0926-AAA58278Size: 5 gDry Ice: NoHazardous: No
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CAT#:0926-AAA58278Size:5 g
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CAS Number
582-78-5
MDL Number
MFCD00025972
Smiles
CC1=CC=C (C=C1) NC (=O) C2=CC=CC=C2
Molecular Formula
C14H13NO
Molecular Weight
211.26 g/mol
Controlled
No

Chemical Information

4'-Methylbenzanilide
CAS Number582-78-5
PubChem CID68497
IUPAC NameN-(4-methylphenyl)benzamide
Molecular FormulaC14H13NO
Molecular Weight211.26
XLogP3
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity225
SMILES
CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H13NO/c1-11-7-9-13(10-8-11)15-14(16)12-5-3-2-4-6-12/h2-10H,1H3,(H,15,16)
InChIKey
YUIHXKGKVSVIEL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4'-Methylbenzanilide
CAS: 582-78-5
CID: 68497
Formula: C14H13NO
MW: 211.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight211.26
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass211.099714038
Monoisotopic Mass211.099714038
Topological Polar Surface Area29.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity225
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