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Chemical ID: 5909650
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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