Chemical ID: 5874714

CCCCCC(=O)NCCCN(c1cccc(c1)C(F)(F)F)C(=O)c2ccccc2C
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue