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Chemical ID: 6924539
Chemical ID:
6924539
Name [?]:
N-(3-chloro-4-methyl-phenyl)-4-pentanoylamino-benzamide
SMILES [?]:
CCCCC(=O)Nc1ccc(cc1)C(=O)Nc2ccc(c(c2)Cl)C
InChi [?]:
InChI=1/C19H21ClN2O2/c1-3-4-5-18(23)21-15-10-7-14(8-11-15)19(24)22-16-9-6-13(2)17(20)12-16/h6-12H,3-5H2,1-2H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,24,2,3,4,19,10,12,18,9,13,22,20,11,8,17,21,5,14,23,7,16,6,15/E:(7,8)(10,11)/rA:24nCCCCCONCCCCCCCONCCCCCCClC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21ClN2O2 |
All Atoms: | 45 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5421 |
Area: | 581.23 |
Solvation: | -2.98864 |
Coulombic: | -42.7346 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 344.835 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.49 |
LogP (Chemaxon): | 4.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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