Chemical ID: 4153902

c1cc(ccc1OCCCC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)Cl
Chemical ID:
4153902
Name [?]:
4-(4-chlorophenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]-butanamide
SMILES [?]:
c1cc(ccc1OCCCC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)Cl
InChi [?]:
InChI=1/C17H14Cl2F3NO2/c18-11-3-6-13(7-4-11)25-9-1-2-16(24)23-12-5-8-15(19)14(10-12)17(20,21)22/h3-8,10H,1-2,9H2,(H,23,24)
InChi Info:
AuxInfo=1/1/N:9,10,2,4,15,1,5,16,8,19,3,14,6,18,17,11,20,25,24,21,22,23,13,12,7/E:(3,4)(6,7)(20,21,22)/rA:25nCCCCCCOCCCCONCCCCCCCFFFClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s20;s20;s20;s17;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14Cl2F3NO2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.0892
Area:581.442
Solvation:-4.4469
Coulombic:-46.0311
Bond Count [?]
All:26
Single:19
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:392.199
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.36
LogP (Chemaxon):5.23

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