Chemical ID: 5532658

c1cc(ccc1NC(=O)c2ccc(c(c2)Cl)Cl)OC(F)(F)F
Chemical ID:
5532658
Name [?]:
3,4-dichloro-N-[4-(trifluoromethoxy)phenyl]-benzamide
SMILES [?]:
c1cc(ccc1NC(=O)c2ccc(c(c2)Cl)Cl)OC(F)(F)F
InChi [?]:
InChI=1/C14H8Cl2F3NO2/c15-11-6-1-8(7-12(11)16)13(21)20-9-2-4-10(5-3-9)22-14(17,18)19/h1-7H,(H,20,21)
InChi Info:
AuxInfo=1/1/N:11,1,5,2,4,12,15,10,6,3,13,14,8,19,17,16,20,21,22,7,9,18/E:(2,3)(4,5)(17,18,19)/rA:22nCCCCCCNCOCCCCCCClClOCFFF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s14;s13;s3;s18;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H8Cl2F3NO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.1517
Area:497.645
Solvation:-2.28937
Coulombic:-54.9108
Bond Count [?]
All:23
Single:16
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:350.119
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.4
LogP (Chemaxon):4.79

Name Annotations

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Descriptor Annotations

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