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Chemical ID: 4715202
Chemical ID:
4715202
Name [?]:
N-(5-fluoro-2-methyl-phenyl)benzamide
SMILES [?]:
Cc1ccc(cc1NC(=O)c2ccccc2)F
InChi [?]:
InChI=1/C14H12FNO/c1-10-7-8-12(15)9-13(10)16-14(17)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,12,16,3,4,6,2,11,5,7,9,17,8,10/E:(3,4)(5,6)/rA:17nCCCCCCCNCOCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s5;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12FNO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.6328 |
Area: | 402.29 |
Solvation: | -2.42445 |
Coulombic: | -26.9314 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 229.25 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.38 |
LogP (Chemaxon): | 3.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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