Chemical ID: 7258830

Cc1cccc(c1NC(=O)CN(C)C(C)C(=O)Nc2cccc(c2Cl)Cl)C
Chemical ID:
7258830
Name [?]:
N-(2,3-dichlorophenyl)-2-[(2,6-dimethylphenyl)carbamoylmethyl-methyl-amino]-propanamide
SMILES [?]:
Cc1cccc(c1NC(=O)CN(C)C(C)C(=O)Nc2cccc(c2Cl)Cl)C
InChi [?]:
InChI=1/C20H23Cl2N3O2/c1-12-7-5-8-13(2)19(12)24-17(26)11-25(4)14(3)20(27)23-16-10-6-9-15(21)18(16)22/h5-10,14H,11H2,1-4H3,(H,23,27)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,27,15,13,4,21,3,5,22,20,11,2,6,14,23,19,9,24,7,16,26,25,18,8,12,10,17/E:(1,2)(7,8)(12,13)/rA:27cCCCCCCCNCOCNCCCCONCCCCCCClClC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s12;s14;s14;d16;s16;s18;s19;d20;s21;d22;d19s23;s24;s23;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23Cl2N3O2
All Atoms:50
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:11.1233
Area:624.473
Solvation:-4.48851
Coulombic:-46.9166
Bond Count [?]
All:28
Single:20
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:408.321
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.76
LogP (Chemaxon):2.88

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Descriptor Annotations

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