Chemical ID: 6127937

CCn1cc(c2c1cccc2)CCC(C)NC(=O)c3ccc(cc3Cl)Cl
Chemical ID:
6127937
Name [?]:
2,4-dichloro-N-[3-(1-ethylindol-3-yl)-1-methyl-propyl]-benzamide
SMILES [?]:
CCn1cc(c2c1cccc2)CCC(C)NC(=O)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C21H22Cl2N2O/c1-3-25-13-15(17-6-4-5-7-20(17)25)9-8-14(2)24-21(26)18-11-10-16(22)12-19(18)23/h4-7,10-14H,3,8-9H2,1-2H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,15,2,10,9,11,8,13,12,21,20,23,4,14,5,22,6,19,24,7,17,26,25,16,3,18/rA:26cCCNCCCCCCCCCCCCNCOCCCCCCClCl/rB:s1;s2;s3;d4;s5;s3s6;d7;s8;d9;d6s10;s5;s12;s13;s14;s14;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22Cl2N2O
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:12.7375
Area:617.66
Solvation:-2.704
Coulombic:-29.6068
Bond Count [?]
All:28
Single:20
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:389.318
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.16
LogP (Chemaxon):5.81

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