Chemical ID: 4154003

Cc1cccc(c1)OCCCC(=O)Nc2cc(ccc2Cl)C(F)(F)F
Chemical ID:
4154003
Name [?]:
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(3-methylphenoxy)-butanamide
SMILES [?]:
Cc1cccc(c1)OCCCC(=O)Nc2cc(ccc2Cl)C(F)(F)F
InChi [?]:
InChI=1/C18H17ClF3NO2/c1-12-4-2-5-14(10-12)25-9-3-6-17(24)23-16-11-13(18(20,21)22)7-8-15(16)19/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,4,10,3,5,11,18,19,9,7,16,2,17,6,20,15,12,22,21,23,24,25,14,13,8/E:(20,21,22)/rA:25nCCCCCCCOCCCCONCCCCCCClCFFF/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s17;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17ClF3NO2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.0002
Area:567.691
Solvation:-4.19211
Coulombic:-47.0318
Bond Count [?]
All:26
Single:19
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:371.781
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.18
LogP (Chemaxon):4.53

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