Chemical ID: 5976351

CC1CCN(CC1)C(=O)c2cc(ccc2N(C)C)NC(=O)c3ccc(cc3Cl)Cl
Chemical ID:
5976351
Name [?]:
2,4-dichloro-N-[4-dimethylamino-3-[(4-methyl-1-piperidyl)carbonyl]phenyl]-benzamide
SMILES [?]:
CC1CCN(CC1)C(=O)c2cc(ccc2N(C)C)NC(=O)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C22H25Cl2N3O2/c1-14-8-10-27(11-9-14)22(29)18-13-16(5-7-20(18)26(2)3)25-21(28)17-6-4-15(23)12-19(17)24/h4-7,12-14H,8-11H2,1-3H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,17,18,24,13,23,14,3,7,4,6,26,11,2,25,12,22,10,27,15,20,8,29,28,19,16,5,21,9/E:(2,3)(8,9)(10,11)/rA:29nCCCCNCCCOCCCCCCNCCNCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;s16;s12;s19;d20;s20;s22;d23;s24;d25;d22s26;s27;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H25Cl2N3O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.7891
Area:645.125
Solvation:-4.33902
Coulombic:-44.6296
Bond Count [?]
All:31
Single:23
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:434.358
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.37
LogP (Chemaxon):4.6

Name Annotations

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Descriptor Annotations

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