Chemical ID: 5678464

c1cc(ccc1C#N)C(=O)Nc2ccc(c(c2F)F)F
Chemical ID:
5678464
Name [?]:
4-cyano-N-(2,3,4-trifluorophenyl)-benzamide
SMILES [?]:
c1cc(ccc1C#N)C(=O)Nc2ccc(c(c2F)F)F
InChi [?]:
InChI=1/C14H7F3N2O/c15-10-5-6-11(13(17)12(10)16)19-14(20)9-3-1-8(7-18)2-4-9/h1-6H,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,14,13,7,6,3,15,12,16,17,9,20,19,18,8,11,10/E:(1,2)(3,4)/rA:20nCCCCCCCNCONCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s6;t7;s3;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s16;s15;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H7F3N2O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:6.67492
Area:440.597
Solvation:-4.34001
Coulombic:-36.0117
Bond Count [?]
All:21
Single:13
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:276.213
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.2
LogP (Chemaxon):2.69

Name Annotations

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Descriptor Annotations

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