Chemical ID: 5742866

CC(=O)Nc1ccc(cc1)NC(=O)c2cc(c(cc2Cl)F)F
Chemical ID:
5742866
Name [?]:
N-(4-acetamidophenyl)-2-chloro-4,5-difluoro-benzamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)NC(=O)c2cc(c(cc2Cl)F)F
InChi [?]:
InChI=1/C15H11ClF2N2O2/c1-8(21)19-9-2-4-10(5-3-9)20-15(22)11-6-13(17)14(18)7-12(11)16/h2-7H,1H3,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,6,10,7,9,15,18,2,5,8,14,19,16,17,12,20,22,21,4,11,3,13/E:(2,3)(4,5)/rA:22nCCONCCCCCCNCOCCCCCCClFF/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11ClF2N2O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:6.81509
Area:490.437
Solvation:-5.44583
Coulombic:-45.2758
Bond Count [?]
All:23
Single:15
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:324.71
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.77
LogP (Chemaxon):3.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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