Chemical ID: 4495203

c1cc(cnc1)CN2C(=O)c3ccc(cc3C2=O)C(=O)Nc4ccc(cc4)F
Chemical ID:
4495203
Name [?]:
N-(4-fluorophenyl)-1,3-dioxo-2-(3-pyridylmethyl)isoindoline-5-carboxamide
SMILES [?]:
c1cc(cnc1)CN2C(=O)c3ccc(cc3C2=O)C(=O)Nc4ccc(cc4)F
InChi [?]:
InChI=1/C21H14FN3O3/c22-15-4-6-16(7-5-15)24-19(26)14-3-8-17-18(10-14)21(28)25(20(17)27)12-13-2-1-9-23-11-13/h1-11H,12H2,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,13,24,26,23,27,12,6,15,4,7,3,14,25,22,11,16,19,9,17,28,5,21,8,20,10,18/E:(4,5)(6,7)/rA:28nCCCCNCCNCOCCCCCCCOCONCCCCCCF/rB:s1;d2;s3;d4;d1s5;s3;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s8s16;d17;s14;d19;s19;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H14FN3O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.3531
Area:574.865
Solvation:-5.01854
Coulombic:-55.3304
Bond Count [?]
All:31
Single:19
Double:12
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:375.353
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.72
LogP (Chemaxon):2.29

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Descriptor Annotations

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