Chemical ID: 6516601

c1ccc(c(c1)C(=O)N)C(=O)N
Chemical ID:
6516601
Name [?]:
phthalamide
SMILES [?]:
c1ccc(c(c1)C(=O)N)C(=O)N
InChi [?]:
InChI=1/C8H8N2O2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H,(H2,9,11)(H2,10,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,7,10,9,12,8,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/gE:(1,2)/rA:12nCCCCCCCONCON/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8N2O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:4.65608
Area:313.778
Solvation:-3.18837
Coulombic:-50.8655
Bond Count [?]
All:12
Single:7
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:164.161
H-Bond Donors:4
H-Bond Acceptors:4
XLogP:-0.2
LogP (Chemaxon):-0.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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