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Chemical ID: 5873847
Chemical ID:
5873847
Name [?]:
2-[(4-methoxyphenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]-acetamide
SMILES [?]:
COc1ccc(cc1)NC(=O)NCC(=O)Nc2ccc(cc2)C(F)(F)F
InChi [?]:
InChI=1/C17H16F3N3O3/c1-26-14-8-6-13(7-9-14)23-16(25)21-10-15(24)22-12-4-2-11(3-5-12)17(18,19)20/h2-9H,10H2,1H3,(H,22,24)(H2,21,23,25)
InChi Info:
AuxInfo=1/1/N:1,19,21,18,22,5,7,4,8,13,20,17,6,3,14,10,23,24,25,26,12,16,9,15,11,2/E:(2,3)(4,5)(6,7)(8,9)(18,19,20)/rA:26nCOCCCCCCNCONCCONCCCCCCCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16F3N3O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.13588 |
Area: | 562.375 |
Solvation: | -4.92351 |
Coulombic: | -80.5714 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 367.323 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 2.49 |
LogP (Chemaxon): | 3.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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