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Chemical ID: 5874714
Chemical ID:
5874714
Name [?]:
N-(3-hexanoylaminopropyl)-2-methyl-N-[3-(trifluoromethyl)phenyl]-benzamide
SMILES [?]:
CCCCCC(=O)NCCCN(c1cccc(c1)C(F)(F)F)C(=O)c2ccccc2C
InChi [?]:
InChI=1/C24H29F3N2O2/c1-3-4-5-14-22(30)28-15-9-16-29(23(31)21-13-7-6-10-18(21)2)20-12-8-11-19(17-20)24(25,26)27/h6-8,10-13,17H,3-5,9,14-16H2,1-2H3,(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,31,2,3,4,28,27,15,10,29,16,14,26,5,9,11,18,30,17,13,25,6,23,19,20,21,22,8,12,7,24/E:(25,26,27)/rA:31nCCCCCCONCCCNCCCCCCCFFFCOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;s19;s19;s12;d23;s23;s25;d26;s27;d28;d25s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H29F3N2O2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.3693 |
Area: | 680.314 |
Solvation: | -3.6386 |
Coulombic: | -58.8609 |
Bond Count [?]
All: | 32 |
Single: | 24 |
Double: | 8 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 434.495 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 6.32 |
LogP (Chemaxon): | 5.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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