Chemical ID: 5912171

C=CCN(CC(=O)N(Cc1ccc(cc1)F)Cc2ccco2)C(=O)c3ccc(cc3)F
Chemical ID:
5912171
Name [?]:
N-allyl-4-fluoro-N-[[(4-fluorophenyl)methyl-(2-furylmethyl)carbamoyl]methyl]benzamide
SMILES [?]:
C=CCN(CC(=O)N(Cc1ccc(cc1)F)Cc2ccco2)C(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C24H22F2N2O3/c1-2-13-27(24(30)19-7-11-21(26)12-8-19)17-23(29)28(16-22-4-3-14-31-22)15-18-5-9-20(25)10-6-18/h2-12,14H,1,13,15-17H2
InChi Info:
AuxInfo=1/0/N:1,2,20,19,11,15,26,30,12,14,27,29,3,21,9,17,5,10,25,13,28,18,6,23,16,31,4,8,7,24,22/E:(5,6)(7,8)(9,10)(11,12)/rA:31nCCCNCCONCCCCCCCFCCCCCOCOCCCCCCF/rB:d1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;s17;d18;s19;d20;s18s21;s4;d23;s23;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H22F2N2O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:9.23306
Area:612.029
Solvation:-6.06767
Coulombic:-50.178
Bond Count [?]
All:33
Single:22
Double:11
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:424.44
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.94
LogP (Chemaxon):3.88

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Descriptor Annotations

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