Chemical ID: 7268891

c1ccc(c(c1)C(=O)Nc2ccc3c(c2)OCO3)NC(=O)c4cccc(c4)F
Chemical ID:
7268891
Name [?]:
N-benzo[1,3]dioxol-5-yl-2-(3-fluorobenzoyl)amino-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2ccc3c(c2)OCO3)NC(=O)c4cccc(c4)F
InChi [?]:
InChI=1/C21H15FN2O4/c22-14-5-3-4-13(10-14)20(25)24-17-7-2-1-6-16(17)21(26)23-15-8-9-18-19(11-15)28-12-27-18/h1-11H,12H2,(H,23,26)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,24,23,25,6,3,11,12,27,15,17,22,26,10,5,4,13,14,20,7,28,9,19,21,8,18,16/rA:28nCCCCCCCONCCCCCCOCONCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;s16;s13s17;s4;s19;d20;s20;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H15FN2O4
All Atoms:43
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.39213
Area:568.438
Solvation:-4.8188
Coulombic:-63.5723
Bond Count [?]
All:31
Single:20
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:378.353
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.31
LogP (Chemaxon):3.98

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