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Chemical ID: 7294332
Chemical ID:
7294332
Name [?]:
2-chloro-4,5-difluoro-N-(3-methoxyphenyl)-benzamide
SMILES [?]:
COc1cccc(c1)NC(=O)c2cc(c(cc2Cl)F)F
InChi [?]:
InChI=1/C14H10ClF2NO2/c1-20-9-4-2-3-8(5-9)18-14(19)10-6-12(16)13(17)7-11(10)15/h2-7H,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,8,13,16,7,3,12,17,14,15,10,18,20,19,9,11,2/rA:20nCOCCCCCCNCOCCCCCCClFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s15;s14;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10ClF2NO2 |
All Atoms: | 30 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.74589 |
Area: | 452.183 |
Solvation: | -5.55869 |
Coulombic: | -33.9026 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 297.684 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.85 |
LogP (Chemaxon): | 3.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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