Chemical ID: 7168975

c1ccc(c(c1)C(=O)NCCCN2CCCC2=O)OC(F)F
Chemical ID:
7168975
Name [?]:
2-(difluoromethoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)NCCCN2CCCC2=O)OC(F)F
InChi [?]:
InChI=1/C15H18F2N2O3/c16-15(17)22-12-6-2-1-5-11(12)14(21)18-8-4-10-19-9-3-7-13(19)20/h1-2,5-6,15H,3-4,7-10H2,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,2,15,11,6,3,16,10,14,12,5,4,17,7,20,21,22,9,13,18,8,19/E:(16,17)/rA:22nCCCCCCCONCCCNCCCCOOCFF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s13;s14;s15;s13s16;d17;s4;s19;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18F2N2O3
All Atoms:40
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.47305
Area:505.45
Solvation:-5.16318
Coulombic:-56.0379
Bond Count [?]
All:23
Single:18
Double:5
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:312.312
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.03
LogP (Chemaxon):1.02

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