Chemical ID: 4771268

COC(=O)c1ccc(nc1)C(=O)Nc2ccc(cc2)C(F)(F)F
Chemical ID:
4771268
Name [?]:
methyl 6-[[4-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate
SMILES [?]:
COC(=O)c1ccc(nc1)C(=O)Nc2ccc(cc2)C(F)(F)F
InChi [?]:
InChI=1/C15H11F3N2O3/c1-23-14(22)9-2-7-12(19-8-9)13(21)20-11-5-3-10(4-6-11)15(16,17)18/h2-8H,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,6,16,18,15,19,7,10,5,17,14,8,11,3,20,21,22,23,9,13,12,4,2/E:(3,4)(5,6)(16,17,18)/rA:23nCOCOCCCCNCCONCCCCCCCFFF/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11F3N2O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.23584
Area:500.68
Solvation:-3.28117
Coulombic:-66.0491
Bond Count [?]
All:24
Single:16
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:324.255
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.69
LogP (Chemaxon):2.62

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