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Chemical ID: 7168975
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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