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Chemical ID: 5911104
Chemical ID:
5911104
Name [?]:
2-fluoro-N-(2-methoxyethyl)-N-[(5-methyl-2-furyl)methyl]benzamide
SMILES [?]:
Cc1ccc(o1)CN(CCOC)C(=O)c2ccccc2F
InChi [?]:
InChI=1/C16H18FNO3/c1-12-7-8-13(21-12)11-18(9-10-20-2)16(19)14-5-3-4-6-15(14)17/h3-8H,9-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,17,18,16,19,3,4,9,10,7,2,5,15,20,13,21,8,14,11,6/rA:21nCCCCCOCNCCOCCOCCCCCCF/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;s11;s8;d13;s13;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18FNO3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.78298 |
Area: | 474.846 |
Solvation: | -6.08817 |
Coulombic: | -34.2606 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 291.317 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.18 |
LogP (Chemaxon): | 1.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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