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Chemical ID: 4213180
Chemical ID:
4213180
Name [?]:
N-[2-(4-fluorophenyl)ethyl]-2,4-dimethoxy-benzamide
SMILES [?]:
COc1ccc(c(c1)OC)C(=O)NCCc2ccc(cc2)F
InChi [?]:
InChI=1/C17H18FNO3/c1-21-14-7-8-15(16(11-14)22-2)17(20)19-10-9-12-3-5-13(18)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,10,17,21,18,20,4,5,15,14,8,16,19,3,6,7,11,22,13,12,2,9/E:(3,4)(5,6)/rA:22nCOCCCCCCOCCONCCCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s11;s13;s14;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18FNO3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.85053 |
Area: | 513.304 |
Solvation: | -5.98208 |
Coulombic: | -39.473 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 303.328 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.29 |
LogP (Chemaxon): | 2.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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