Chemical ID: 6491623

COc1ccc(cc1OC)NC(=O)c2ccc(cc2)F
Chemical ID:
6491623
Name [?]:
N-(3,4-dimethoxyphenyl)-4-fluoro-benzamide
SMILES [?]:
COc1ccc(cc1OC)NC(=O)c2ccc(cc2)F
InChi [?]:
InChI=1/C15H14FNO3/c1-19-13-8-7-12(9-14(13)20-2)17-15(18)10-3-5-11(16)6-4-10/h3-9H,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,10,15,19,16,18,5,4,7,14,17,6,3,8,12,20,11,13,2,9/E:(3,4)(5,6)/rA:20nCOCCCCCCOCNCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14FNO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:5.39057
Area:458.674
Solvation:-6.07628
Coulombic:-38.86
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:275.275
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.72
LogP (Chemaxon):2.74

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Descriptor Annotations

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