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Chemical ID: 7328901
Chemical ID:
7328901
Name [?]:
3-(3,4-dimethoxyphenyl)-N-(3-fluorophenyl)-propanamide
SMILES [?]:
COc1ccc(cc1OC)CCC(=O)Nc2cccc(c2)F
InChi [?]:
InChI=1/C17H18FNO3/c1-21-15-8-6-12(10-16(15)22-2)7-9-17(20)19-14-5-3-4-13(18)11-14/h3-6,8,10-11H,7,9H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,10,18,19,17,5,11,4,12,7,21,6,20,16,3,8,13,22,15,14,2,9/rA:22nCOCCCCCCOCCCCONCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18FNO3 |
All Atoms: | 40 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.34277 |
Area: | 512.633 |
Solvation: | -6.47305 |
Coulombic: | -37.7655 |
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: | 2.7 |
LogP (Chemaxon): | 3.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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