Chemical ID: 5386492

Cc1ccc(c(c1)NC(=O)COC(=O)c2ccccc2C(F)(F)F)C
Chemical ID:
5386492
Name [?]:
(2,5-dimethylphenyl)carbamoylmethyl 2-(trifluoromethyl)benzoate
SMILES [?]:
Cc1ccc(c(c1)NC(=O)COC(=O)c2ccccc2C(F)(F)F)C
InChi [?]:
InChI=1/C18H16F3NO3/c1-11-7-8-12(2)15(9-11)22-16(23)10-25-17(24)13-5-3-4-6-14(13)18(19,20)21/h3-9H,10H2,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,25,17,18,16,19,3,4,7,11,2,5,15,20,6,9,13,21,22,23,24,8,10,14,12/E:(19,20,21)/rA:25nCCCCCCCNCOCOCOCCCCCCCFFFC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s21;s21;s21;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16F3NO3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.08462
Area:528.693
Solvation:-4.13271
Coulombic:-59.0993
Bond Count [?]
All:26
Single:18
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:351.32
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.28
LogP (Chemaxon):3.84

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