Chemical ID: 7253132

c1cc(ccc1C(=O)Nc2cc(ccc2F)F)F
Chemical ID:
7253132
Name [?]:
N-(2,5-difluorophenyl)-4-fluoro-benzamide
SMILES [?]:
c1cc(ccc1C(=O)Nc2cc(ccc2F)F)F
InChi [?]:
InChI=1/C13H8F3NO/c14-9-3-1-8(2-4-9)13(18)17-12-7-10(15)5-6-11(12)16/h1-7H,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,13,14,11,6,3,12,15,10,7,18,17,16,9,8/E:(1,2)(3,4)/rA:18nCCCCCCCONCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s12;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H8F3NO
All Atoms:26
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:5.97759
Area:398.539
Solvation:-3.98588
Coulombic:-32.876
Bond Count [?]
All:19
Single:12
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:251.204
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.48
LogP (Chemaxon):2.87

Name Annotations

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Descriptor Annotations

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