N, N'-Diphenylmalonamide

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CAS Number

621-10-3

Synonyms

Malonic acid, dianilide

MDL Number

MFCD00020645

Smiles

O=C (CC (=O) Nc1ccccc1) Nc2ccccc2

Chemical Information

Malonanilide

CAS Number	621-10-3
PubChem CID	69298
IUPAC Name	N,N'-diphenylpropanediamide
Molecular Formula	C15H14N2O2
Molecular Weight	254.28
XLogP	3.7
Topological Polar Surface Area	58.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	19
Formal Charge	0
Complexity	275

SMILES

C1=CC=C(C=C1)NC(=O)CC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C15H14N2O2/c18-14(16-12-7-3-1-4-8-12)11-15(19)17-13-9-5-2-6-10-13/h1-10H,11H2,(H,16,18)(H,17,19)

InChIKey

YYAQOJILQOVUSK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 621-10-3

CID: 69298

Formula: C15H14N2O2

MW: 254.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	254.28
XLogP3	3.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	254.105527694
Monoisotopic Mass	254.105527694
Topological Polar Surface Area	58.2 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	275
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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