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Chemical ID: 7518176
Chemical ID:
7518176
Name [?]:
N-benzyl-3,4-difluoro-benzamide
SMILES [?]:
c1ccc(cc1)CNC(=O)c2ccc(c(c2)F)F
InChi [?]:
InChI=1/C14H11F2NO/c15-12-7-6-11(8-13(12)16)14(18)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,12,13,16,7,4,11,14,15,9,18,17,8,10/E:(2,3)(4,5)/rA:18nCCCCCCCNCOCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s14;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11F2NO |
All Atoms: | 29 |
Heavy Atoms: | 18 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.01624 |
Area: | 424.167 |
Solvation: | -3.58793 |
Coulombic: | -30.6234 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.46 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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