Chemical ID: 6313822

c1ccc(c(c1)C2C(=C(C(=O)N2CCOCCO)O)C(=O)c3ccc(cc3)Cl)F
Chemical ID:
6313822
Name [?]:
4-(4-chlorobenzoyl)-5-(2-fluorophenyl)-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrol-2-one
SMILES [?]:
c1ccc(c(c1)C2C(=C(C(=O)N2CCOCCO)O)C(=O)c3ccc(cc3)Cl)F
InChi [?]:
InChI=1/C21H19ClFNO5/c22-14-7-5-13(6-8-14)19(26)17-18(15-3-1-2-4-16(15)23)24(21(28)20(17)27)9-11-29-12-10-25/h1-8,18,25,27H,9-12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,23,27,24,26,13,17,14,16,22,25,5,4,8,7,20,9,10,28,29,12,18,21,19,11,15/E:(5,6)(7,8)/rA:29cCCCCCCCCCCONCCOCCOOCOCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s7s10;s12;s13;s14;s15;s16;s17;s9;s8;d20;s20;s22;d23;s24;d25;d22s26;s25;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19ClFNO5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:8.38151
Area:605.193
Solvation:-6.74831
Coulombic:-72.1481
Bond Count [?]
All:31
Single:22
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:419.83
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.08
LogP (Chemaxon):2.27

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Descriptor Annotations

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