Chemical ID: 4408006

CCCOc1cccc(c1)C(=O)Nc2cccc(c2)F
Chemical ID:
4408006
Name [?]:
N-(3-fluorophenyl)-3-propoxy-benzamide
SMILES [?]:
CCCOc1cccc(c1)C(=O)Nc2cccc(c2)F
InChi [?]:
InChI=1/C16H16FNO2/c1-2-9-20-15-8-3-5-12(10-15)16(19)18-14-7-4-6-13(17)11-14/h3-8,10-11H,2,9H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,7,16,8,17,15,6,3,10,19,9,18,14,5,11,20,13,12,4/rA:20nCCCOCCCCCCCONCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16FNO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.06738
Area:477.124
Solvation:-3.86072
Coulombic:-33.5156
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:273.302
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.85
LogP (Chemaxon):3.8

Name Annotations

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Descriptor Annotations

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