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Chemical ID: 5856039
Chemical ID:
5856039
Name [?]:
3-chloro-N-[1-[(4-fluorophenyl)methyleneaminocarbamoyl]-2-methyl-propyl]-benzamide
SMILES [?]:
CC(C)C(C(=O)NN=Cc1ccc(cc1)F)NC(=O)c2cccc(c2)Cl
InChi [?]:
InChI=1/C19H19ClFN3O2/c1-12(2)17(23-18(25)14-4-3-5-15(20)10-14)19(26)24-22-11-13-6-8-16(21)9-7-13/h3-12,17H,1-2H3,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,3,22,21,23,11,15,12,14,25,9,2,10,20,24,13,4,18,5,26,16,8,17,7,19,6/E:(1,2)(6,7)(8,9)/rA:26cCCCCCONNCCCCCCCFNCOCCCCCCCl/rB:s1;s2;s2;s4;d5;s5;s7;w8;s9;s10;d11;s12;d13;d10s14;s13;s4;s17;d18;s18;s20;d21;s22;d23;d20s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19ClFN3O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.3507 |
Area: | 593.822 |
Solvation: | -4.49482 |
Coulombic: | -46.5305 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 375.824 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.13 |
LogP (Chemaxon): | 4.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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