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Chemical ID: 7325722
Chemical ID:
7325722
Name [?]:
N-[4-(dimethylcarbamoyl)phenyl]-2,4-difluoro-benzamide
SMILES [?]:
CN(C)C(=O)c1ccc(cc1)NC(=O)c2ccc(cc2F)F
InChi [?]:
InChI=1/C16H14F2N2O2/c1-20(2)16(22)10-3-6-12(7-4-10)19-15(21)13-8-5-11(17)9-14(13)18/h3-9H,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,3,7,11,17,8,10,16,19,6,18,9,15,20,13,4,22,21,12,2,14,5/E:(1,2)(3,4)(6,7)/rA:22nCNCCOCCCCCCNCOCCCCCCFF/rB:s1;s2;s2;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14F2N2O2 |
All Atoms: | 36 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.77774 |
Area: | 479.939 |
Solvation: | -5.22075 |
Coulombic: | -43.9258 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 304.291 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.86 |
LogP (Chemaxon): | 2.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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