Chemical ID: 5519919

CCCN(CC(=O)Nc1ccc(cc1)OCC)CC(=O)Nc2ccc(c(c2F)F)F
Chemical ID:
5519919
Name [?]:
N-(4-ethoxyphenyl)-2-[propyl-[(2,3,4-trifluorophenyl)carbamoylmethyl]amino]-acetamide
SMILES [?]:
CCCN(CC(=O)Nc1ccc(cc1)OCC)CC(=O)Nc2ccc(c(c2F)F)F
InChi [?]:
InChI=1/C21H24F3N3O3/c1-3-11-27(12-18(28)25-14-5-7-15(8-6-14)30-4-2)13-19(29)26-17-10-9-16(22)20(23)21(17)24/h5-10H,3-4,11-13H2,1-2H3,(H,25,28)(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,17,2,16,10,14,11,13,24,23,3,5,18,9,12,25,22,6,19,26,27,30,29,28,8,21,4,7,20,15/E:(5,6)(7,8)/rA:30cCCCNCCONCCCCCCOCCCCONCCCCCCFFF/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s12;s15;s16;s4;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H24F3N3O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:8.53378
Area:652.376
Solvation:-7.77563
Coulombic:-62.7947
Bond Count [?]
All:31
Single:23
Double:8
Rotors:12
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:423.429
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.14
LogP (Chemaxon):2.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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