Chemical ID: 5874712

Cc1ccccc1C(=O)N(CCCNC(=O)CCl)c2cccc(c2)C(F)(F)F
Chemical ID:
5874712
Name [?]:
N-[3-(2-chloroacetyl)aminopropyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]-benzamide
SMILES [?]:
Cc1ccccc1C(=O)N(CCCNC(=O)CCl)c2cccc(c2)C(F)(F)F
InChi [?]:
InChI=1/C20H20ClF3N2O2/c1-14-6-2-3-9-17(14)19(28)26(11-5-10-25-18(27)13-21)16-8-4-7-15(12-16)20(22,23)24/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,4,5,21,12,3,22,20,6,13,11,24,17,2,23,19,7,15,8,25,18,26,27,28,14,10,16,9/E:(22,23,24)/rA:28nCCCCCCCCONCCCNCOCClCCCCCCCFFF/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;s12;s13;s14;d15;s15;s17;s10;s19;d20;s21;d22;d19s23;s23;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20ClF3N2O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.0234
Area:613.354
Solvation:-4.31046
Coulombic:-57.8303
Bond Count [?]
All:29
Single:21
Double:8
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:412.833
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.59
LogP (Chemaxon):3.9

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