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Chemical ID: 6398501
Chemical ID:
6398501
Name [?]:
2-chloro-N-(2,4-difluorophenyl)-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2ccc(cc2F)F)Cl
InChi [?]:
InChI=1/C13H8ClF2NO/c14-10-4-2-1-3-9(10)13(18)17-12-6-5-8(15)7-11(12)16/h1-7H,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,11,14,13,5,4,15,10,7,18,17,16,9,8/rA:18nCCCCCCCONCCCCCCFFCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s13;s4;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H8ClF2NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.17989 |
Area: | 412.698 |
Solvation: | -3.13755 |
Coulombic: | -29.8475 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 267.658 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.94 |
LogP (Chemaxon): | 3.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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