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Chemical ID: 3906539
Chemical ID:
3906539
Name [?]:
N-[cyclopentylcarbamoyl-(2-fluorophenyl)-methyl]-N-(2-fluorophenyl)-furan-2-carboxamide
SMILES [?]:
c1ccc(c(c1)C(C(=O)NC2CCCC2)N(c3ccccc3F)C(=O)c4ccco4)F
InChi [?]:
InChI=1/C24H22F2N2O3/c25-18-11-4-3-10-17(18)22(23(29)27-16-8-1-2-9-16)28(20-13-6-5-12-19(20)26)24(30)21-14-7-15-31-21/h3-7,10-16,22H,1-2,8-9H2,(H,27,29)
InChi Info:
AuxInfo=1/1/N:13,14,1,2,20,19,28,12,15,6,3,21,18,27,29,11,5,4,22,17,26,7,8,24,31,23,10,16,9,25,30/E:(1,2)(8,9)/rA:31cCCCCCCCCONCCCCCNCCCCCCFCOCCCCOF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;s13;s11s14;s7;s16;s17;d18;s19;d20;d17s21;s22;s16;d24;s24;d26;s27;d28;s26s29;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H22F2N2O3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.69847 |
Area: | 590.15 |
Solvation: | -5.05527 |
Coulombic: | -56.6779 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 424.44 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.16 |
LogP (Chemaxon): | 4.18 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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