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Chemical ID: 4174974
Chemical ID:
4174974
Name [?]:
N-(2-fluorophenyl)-4-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1)C(=O)Nc2ccccc2F
InChi [?]:
InChI=1/C14H12FNO2/c1-18-11-8-6-10(7-9-11)14(17)16-13-5-3-2-4-12(13)15/h2-9H,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,13,5,7,4,8,6,3,17,12,9,18,11,10,2/E:(6,7)(8,9)/rA:18nCOCCCCCCCONCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12FNO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.08765 |
Area: | 421.995 |
Solvation: | -3.46223 |
Coulombic: | -34.201 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 245.249 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.07 |
LogP (Chemaxon): | 2.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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