Chemical ID: 4280697

CC(=O)Nc1ccc(c(c1)C(=O)N)Cl
Chemical ID:
4280697
Name [?]:
5-acetamido-2-chloro-benzamide
SMILES [?]:
CC(=O)Nc1ccc(c(c1)C(=O)N)Cl
InChi [?]:
InChI=1/C9H9ClN2O2/c1-5(13)12-6-2-3-8(10)7(4-6)9(11)14/h2-4H,1H3,(H2,11,14)(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,6,7,10,2,5,9,8,11,14,13,4,3,12/rA:14nCCONCCCCCCCONCl/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s9;d11;s11;s8;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9ClN2O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.13713
Area:372.966
Solvation:-3.18702
Coulombic:-44.0995
Bond Count [?]
All:14
Single:9
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:212.633
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:0.79
LogP (Chemaxon):0.54

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue