Chemical ID: 5873847

COc1ccc(cc1)NC(=O)NCC(=O)Nc2ccc(cc2)C(F)(F)F
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

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Descriptor Annotations

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