Chemical ID: 4749350

c1ccc2c(c1)CCC(O2)C(=O)Nc3ccc(cc3)C(F)(F)F
Chemical ID:
4749350
Name [?]:
N-[4-(trifluoromethyl)phenyl]chroman-2-carboxamide
SMILES [?]:
c1ccc2c(c1)CCC(O2)C(=O)Nc3ccc(cc3)C(F)(F)F
InChi [?]:
InChI=1/C17H14F3NO2/c18-17(19,20)12-6-8-13(9-7-12)21-16(22)15-10-5-11-3-1-2-4-14(11)23-15/h1-4,6-9,15H,5,10H2,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,16,18,15,19,8,5,17,14,4,9,11,20,21,22,23,13,12,10/E:(6,7)(8,9)(18,19,20)/rA:23cCCCCCCCCCOCONCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;s9;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14F3NO2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:7.94718
Area:485.296
Solvation:-4.18521
Coulombic:-48.4803
Bond Count [?]
All:25
Single:18
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:321.294
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.91
LogP (Chemaxon):4.33

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