Chemical ID: 7249152

COc1ccc(cc1)C(=O)NC(c2ccccc2F)NC(=O)c3ccc(cc3)OC
Chemical ID:
7249152
Name [?]:
N-[(2-fluorophenyl)-(4-methoxybenzoyl)amino-methyl]-4-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1)C(=O)NC(c2ccccc2F)NC(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C23H21FN2O4/c1-29-17-11-7-15(8-12-17)22(27)25-21(19-5-3-4-6-20(19)24)26-23(28)16-9-13-18(30-2)14-10-16/h3-14,21H,1-2H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,30,15,16,14,17,5,7,24,28,4,8,25,27,6,23,3,26,13,18,12,9,21,19,11,20,10,22,2,29/E:(1,2)(7,8,9,10)(11,12,13,14)(15,16)(17,18)(22,23)(25,26)(27,28)(29,30)/gE:(1,2)/rA:30nCOCCCCCCCONCCCCCCCFNCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s12;s20;d21;s21;s23;d24;s25;d26;d23s27;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H21FN2O4
All Atoms:51
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:9.09284
Area:632.587
Solvation:-6.72184
Coulombic:-62.7755
Bond Count [?]
All:32
Single:21
Double:11
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:408.422
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.58
LogP (Chemaxon):3.46

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Experimental Annotations

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Descriptor Annotations

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