Chemical ID: 5845718

c1cc(ccc1CNC(=O)CCC(=O)NCC2CCCO2)F
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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