Chemical ID: 7328901

COc1ccc(cc1OC)CCC(=O)Nc2cccc(c2)F
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

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Descriptor Annotations

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