Chemical ID: 5892725

c1cc(c(cc1C(=O)Nc2ccc(c(c2)C(=O)NC3CC3)N4CCCC4)Cl)Cl
Chemical ID:
5892725
Name [?]:
3,4-dichloro-N-[3-(cyclopropylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]-benzamide
SMILES [?]:
c1cc(c(cc1C(=O)Nc2ccc(c(c2)C(=O)NC3CC3)N4CCCC4)Cl)Cl
InChi [?]:
InChI=1/C21H21Cl2N3O2/c22-17-7-3-13(11-18(17)23)20(27)25-15-6-8-19(26-9-1-2-10-26)16(12-15)21(28)24-14-4-5-14/h3,6-8,11-12,14H,1-2,4-5,9-10H2,(H,24,28)(H,25,27)
InChi Info:
AuxInfo=1/1/N:24,25,1,20,21,11,2,12,23,26,5,15,6,19,10,14,3,4,13,7,16,28,27,18,9,22,8,17/E:(1,2)(4,5)(9,10)/rA:28nCCCCCCCONCCCCCCCONCCCNCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;d16;s16;s18;s19;s19s20;s13;s22;s23;s24;s22s25;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21Cl2N3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.032
Area:640.96
Solvation:-3.99195
Coulombic:-48.819
Bond Count [?]
All:31
Single:23
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:418.316
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.9
LogP (Chemaxon):4.02

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