Chemical ID: 4150304

c1ccc2c(c1)C(=O)N(C2=O)CCC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
Chemical ID:
4150304
Name [?]:
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1,3-dioxoisoindolin-2-yl)-propanamide
SMILES [?]:
c1ccc2c(c1)C(=O)N(C2=O)CCC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
InChi [?]:
InChI=1/C18H12ClF3N2O3/c19-14-6-5-10(9-13(14)18(20,21)22)23-15(25)7-8-24-16(26)11-3-1-2-4-12(11)17(24)27/h1-6,9H,7-8H2,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,18,19,13,12,22,17,5,4,21,20,14,7,10,23,27,24,25,26,16,9,15,8,11/E:(1,2)(3,4)(11,12)(16,17)(20,21,22)(26,27)/rA:27nCCCCCCCONCOCCCONCCCCCCCFFFCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4s9;d10;s9;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;s23;s23;s23;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12ClF3N2O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.1406
Area:568.616
Solvation:-4.07481
Coulombic:-64.6256
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:396.747
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.58
LogP (Chemaxon):3.29

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Descriptor Annotations

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