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Chemical ID: 6840101
Chemical ID:
6840101
Name [?]:
N-(2,3-dimethylphenyl)-4-[1-[(4-fluorophenyl)carbamoyl]ethoxy]benzamide
SMILES [?]:
Cc1cccc(c1C)NC(=O)c2ccc(cc2)OC(C)C(=O)Nc3ccc(cc3)F
InChi [?]:
InChI=1/C24H23FN2O3/c1-15-5-4-6-22(16(15)2)27-24(29)18-7-13-21(14-8-18)30-17(3)23(28)26-20-11-9-19(25)10-12-20/h4-14,17H,1-3H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,8,20,4,3,5,13,17,26,28,25,29,14,16,2,7,19,12,27,24,15,6,21,10,30,23,9,22,11,18/E:(7,8)(9,10)(11,12)(13,14)/rA:30cCCCCCCCCNCOCCCCCCOCCCONCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s19;s19;d21;s21;s23;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23FN2O3 |
All Atoms: | 53 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.3906 |
Area: | 640.003 |
Solvation: | -5.60946 |
Coulombic: | -54.3741 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 406.449 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.0 |
LogP (Chemaxon): | 4.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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