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Chemical ID: 6521637
Chemical ID:
6521637
Name [?]:
N-cyclopropyl-2,6-difluoro-benzamide
SMILES [?]:
c1cc(c(c(c1)F)C(=O)NC2CC2)F
InChi [?]:
InChI=1/C10H9F2NO/c11-7-2-1-3-8(12)9(7)10(14)13-6-4-5-6/h1-3,6H,4-5H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,13,11,3,5,4,8,14,7,10,9/E:(2,3)(4,5)(7,8)(11,12)/rA:14nCCCCCCFCONCCCF/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;s8;s10;s11;s11s12;s3;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9F2NO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.52105 |
Area: | 354.09 |
Solvation: | -3.33119 |
Coulombic: | -28.0193 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 197.181 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.29 |
LogP (Chemaxon): | 1.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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