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Chemical ID: 3906534
Chemical ID:
3906534
Name [?]:
N-(4-chlorophenyl)-N-[cyclopentylcarbamoyl-(2-fluorophenyl)-methyl]-furan-2-carboxamide
SMILES [?]:
c1ccc(c(c1)C(C(=O)NC2CCCC2)N(c3ccc(cc3)Cl)C(=O)c4ccco4)F
InChi [?]:
InChI=1/C24H22ClFN2O3/c25-16-11-13-18(14-12-16)28(24(30)21-10-5-15-31-21)22(19-8-3-4-9-20(19)26)23(29)27-17-6-1-2-7-17/h3-5,8-15,17,22H,1-2,6-7H2,(H,27,29)
InChi Info:
AuxInfo=1/1/N:13,14,1,2,28,12,15,6,3,27,19,21,18,22,29,20,11,17,5,4,26,7,8,24,23,31,10,16,9,25,30/E:(1,2)(6,7)(11,12)(13,14)/rA:31cCCCCCCCCONCCCCCNCCCCCCClCOCCCCOF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;s13;s11s14;s7;s16;s17;d18;s19;d20;d17s21;s20;s16;d24;s24;d26;s27;d28;s26s29;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H22ClFN2O3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.2311 |
Area: | 613.896 |
Solvation: | -3.11626 |
Coulombic: | -54.9911 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 440.894 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.62 |
LogP (Chemaxon): | 4.56 |
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.
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