Chemical ID: 6036973

CC(C)NC(=O)CCN(Cc1ccc(cc1)F)C(=O)c2ccoc2
Chemical ID:
6036973
Name [?]:
N-[(4-fluorophenyl)methyl]-N-[2-(isopropylcarbamoyl)ethyl]furan-3-carboxamide
SMILES [?]:
CC(C)NC(=O)CCN(Cc1ccc(cc1)F)C(=O)c2ccoc2
InChi [?]:
InChI=1/C18H21FN2O3/c1-13(2)20-17(22)7-9-21(18(23)15-8-10-24-12-15)11-14-3-5-16(19)6-4-14/h3-6,8,10,12-13H,7,9,11H2,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,12,16,13,15,7,21,8,22,10,24,2,11,20,14,5,18,17,4,9,6,19,23/E:(1,2)(3,4)(5,6)/rA:24nCCCNCOCCNCCCCCCCFCOCCCOC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s9;d18;s18;s20;d21;s22;d20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21FN2O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.92347
Area:539.446
Solvation:-4.56269
Coulombic:-47.7468
Bond Count [?]
All:25
Single:18
Double:7
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:332.369
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.26
LogP (Chemaxon):2.15

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