Chemical ID: 4198867

Cc1ccc(c(c1)NC(=O)c2ccc(c(c2)Cl)OC)C
Chemical ID:
4198867
Name [?]:
3-chloro-N-(2,5-dimethylphenyl)-4-methoxy-benzamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)c2ccc(c(c2)Cl)OC)C
InChi [?]:
InChI=1/C16H16ClNO2/c1-10-4-5-11(2)14(8-10)18-16(19)12-6-7-15(20-3)13(17)9-12/h4-9H,1-3H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,20,19,3,4,12,13,7,16,2,5,11,15,6,14,9,17,8,10,18/rA:20nCCCCCCCNCOCCCCCCClOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s14;s18;s5;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16ClNO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.77274
Area:484.189
Solvation:-3.33198
Coulombic:-29.6602
Bond Count [?]
All:21
Single:14
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:289.756
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.19
LogP (Chemaxon):3.65

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