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Chemical ID: 4410097
Chemical ID:
4410097
Name [?]:
3-bromo-N-(2,4-difluorophenyl)-4-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1Br)C(=O)Nc2ccc(cc2F)F
InChi [?]:
InChI=1/C14H10BrF2NO2/c1-20-13-5-2-8(6-10(13)15)14(19)18-12-4-3-9(16)7-11(12)17/h2-7H,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,5,15,14,4,7,17,6,16,8,18,13,3,10,9,20,19,12,11,2/rA:20nCOCCCCCCBrCONCCCCCCFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10BrF2NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.02442 |
Area: | 456.171 |
Solvation: | -4.37986 |
Coulombic: | -35.997 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 342.136 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.03 |
LogP (Chemaxon): | 3.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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