Chemical ID: 6851834

Cc1cccc(c1C)NC(=O)C(C)Oc2ccc(cc2)C(=O)Nc3cc(ccc3Cl)Cl
Chemical ID:
6851834
Name [?]:
N-(2,5-dichlorophenyl)-4-[1-[(2,3-dimethylphenyl)carbamoyl]ethoxy]benzamide
SMILES [?]:
Cc1cccc(c1C)NC(=O)C(C)Oc2ccc(cc2)C(=O)Nc3cc(ccc3Cl)Cl
InChi [?]:
InChI=1/C24H22Cl2N2O3/c1-14-5-4-6-21(15(14)2)27-23(29)16(3)31-19-10-7-17(8-11-19)24(30)28-22-13-18(25)9-12-20(22)26/h4-13,16H,1-3H3,(H,27,29)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,8,13,4,3,5,17,19,27,16,20,28,25,2,7,12,18,26,15,29,6,24,10,21,31,30,9,23,11,22,14/E:(7,8)(10,11)/rA:31cCCCCCCCCNCOCCOCCCCCCCONCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;s12;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;s23;s24;d25;s26;d27;d24s28;s29;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H22Cl2N2O3
All Atoms:53
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:12.7448
Area:696.757
Solvation:-4.6741
Coulombic:-51.9935
Bond Count [?]
All:33
Single:22
Double:11
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:457.349
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:6.08
LogP (Chemaxon):5.14

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Descriptor Annotations

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