Chemical ID: 6943329

CC(C)c1ccc(cc1)OCC(=O)Nc2ccc(c(c2)Cl)F
Chemical ID:
6943329
Name [?]:
N-(3-chloro-4-fluoro-phenyl)-2-(4-isopropylphenoxy)-acetamide
SMILES [?]:
CC(C)c1ccc(cc1)OCC(=O)Nc2ccc(c(c2)Cl)F
InChi [?]:
InChI=1/C17H17ClFNO2/c1-11(2)12-3-6-14(7-4-12)22-10-17(21)20-13-5-8-16(19)15(18)9-13/h3-9,11H,10H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,5,9,16,6,8,17,20,11,2,4,15,7,19,18,12,21,22,14,13,10/E:(1,2)(3,4)(6,7)/rA:22nCCCCCCCCCOCCONCCCCCCClF/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17ClFNO2
All Atoms:39
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.44816
Area:529.037
Solvation:-4.77776
Coulombic:-32.8061
Bond Count [?]
All:23
Single:16
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:321.774
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.86
LogP (Chemaxon):4.73

Name Annotations

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Descriptor Annotations

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