Chemical ID: 5909650

C=CCN(CC(=O)N(Cc1ccccc1)Cc2ccco2)C(=O)c3ccccc3F
Chemical ID:
5909650
Name [?]:
N-allyl-N-[(benzyl-(2-furylmethyl)carbamoyl)methyl]-2-fluoro-benzamide
SMILES [?]:
C=CCN(CC(=O)N(Cc1ccccc1)Cc2ccco2)C(=O)c3ccccc3F
InChi [?]:
InChI=1/C24H23FN2O3/c1-2-14-26(24(29)21-12-6-7-13-22(21)25)18-23(28)27(17-20-11-8-15-30-20)16-19-9-4-3-5-10-19/h2-13,15H,1,14,16-18H2
InChi Info:
AuxInfo=1/0/N:1,2,13,12,14,26,27,19,11,15,18,25,28,3,20,9,16,5,10,17,24,29,6,22,30,4,8,7,23,21/E:(4,5)(9,10)/rA:30nCCCNCCONCCCCCCCCCCCCOCOCCCCCCF/rB:d1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s8;s16;d17;s18;d19;s17s20;s4;d22;s22;s24;d25;s26;d27;d24s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H23FN2O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:9.49583
Area:604.798
Solvation:-5.62411
Coulombic:-46.7873
Bond Count [?]
All:32
Single:21
Double:11
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:406.449
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.78
LogP (Chemaxon):3.74

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Descriptor Annotations

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