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Chemical ID: 5845718
Chemical ID:
5845718
Name [?]:
N-[(4-fluorophenyl)methyl]-N'-(tetrahydrofuran-2-ylmethyl)butanediamide
SMILES [?]:
c1cc(ccc1CNC(=O)CCC(=O)NCC2CCCO2)F
InChi [?]:
InChI=1/C16H21FN2O3/c17-13-5-3-12(4-6-13)10-18-15(20)7-8-16(21)19-11-14-2-1-9-22-14/h3-6,14H,1-2,7-11H2,(H,18,20)(H,19,21)
InChi Info:
AuxInfo=1/1/N:19,18,1,5,2,4,11,12,20,7,16,6,3,17,9,13,22,8,15,10,14,21/E:(3,4)(5,6)/rA:22cCCCCCCCNCOCCCONCCCCCOF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;d13;s13;s15;s16;s17;s18;s19;s17s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H21FN2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.53666 |
Area: | 541.598 |
Solvation: | -5.00331 |
Coulombic: | -52.0241 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 308.348 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.09 |
LogP (Chemaxon): | 0.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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