Chemical ID: 5976653

CN(C)c1ccc(cc1C(=O)NC2CCCCC2)NC(=O)Nc3ccc(cc3)Cl
Chemical ID:
5976653
Name [?]:
5-[(4-chlorophenyl)carbamoylamino]-N-cyclohexyl-2-dimethylamino-benzamide
SMILES [?]:
CN(C)c1ccc(cc1C(=O)NC2CCCCC2)NC(=O)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C22H27ClN4O2/c1-27(2)20-13-12-18(26-22(29)25-17-10-8-15(23)9-11-17)14-19(20)21(28)24-16-6-4-3-5-7-16/h8-14,16H,3-7H2,1-2H3,(H,24,28)(H2,25,26,29)
InChi Info:
AuxInfo=1/1/N:1,3,16,15,17,14,18,25,27,24,28,6,5,8,26,13,23,7,9,4,10,20,29,12,22,19,2,11,21/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:29nCNCCCCCCCCONCCCCCCNCONCCCCCCCl/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s7;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H27ClN4O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.3859
Area:649.68
Solvation:-3.85608
Coulombic:-62.2466
Bond Count [?]
All:31
Single:23
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:414.928
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:4.55
LogP (Chemaxon):4.77

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