Chemical ID: 5913900

Cc1cccc(c1)C(=O)N(CC=C)CC(=O)N(Cc2ccc(cc2)F)Cc3ccco3
Chemical ID:
5913900
Name [?]:
N-allyl-N-[[(4-fluorophenyl)methyl-(2-furylmethyl)carbamoyl]methyl]-3-methyl-benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)N(CC=C)CC(=O)N(Cc2ccc(cc2)F)Cc3ccco3
InChi [?]:
InChI=1/C25H25FN2O3/c1-3-13-27(25(30)21-7-4-6-19(2)15-21)18-24(29)28(17-23-8-5-14-31-23)16-20-9-11-22(26)12-10-20/h3-12,14-15H,1,13,16-18H2,2H3
InChi Info:
AuxInfo=1/0/N:13,1,12,4,29,3,5,28,20,24,21,23,11,30,7,18,26,14,2,19,6,22,27,15,8,25,10,17,16,9,31/E:(9,10)(11,12)/rA:31nCCCCCCCCONCCCCCONCCCCCCCFCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s10;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s22;s17;s26;d27;s28;d29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H25FN2O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.3844
Area:612.267
Solvation:-4.92227
Coulombic:-47.7215
Bond Count [?]
All:33
Single:22
Double:11
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:420.476
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.21
LogP (Chemaxon):4.21

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Descriptor Annotations

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