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Chemical ID: 4295095
Chemical ID:
4295095
Name [?]:
1-(4-bromophenyl)-3-(4-fluorophenyl)amino-pyrrolidine-2,5-dione
SMILES [?]:
c1cc(ccc1NC2CC(=O)N(C2=O)c3ccc(cc3)Br)F
InChi [?]:
InChI=1/C16H12BrFN2O2/c17-10-1-7-13(8-2-10)20-15(21)9-14(16(20)22)19-12-5-3-11(18)4-6-12/h1-8,14,19H,9H2
InChi Info:
AuxInfo=1/0/N:17,19,2,4,1,5,16,20,9,18,3,6,15,8,10,13,21,22,7,12,11,14/E:(1,2)(3,4)(5,6)(7,8)/rA:22cCCCCCCNCCCONCOCCCCCCBrF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;d10;s10;s8s12;d13;s12;s15;d16;s17;d18;d15s19;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12BrFN2O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.01599 |
Area: | 491.201 |
Solvation: | -4.26404 |
Coulombic: | -39.5752 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 363.181 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.53 |
LogP (Chemaxon): | 3.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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