Chemical ID: 3951099

c1ccc2c(c1)N(C(=O)CO2)CC(=O)Nc3ccc(cc3)Cl
Chemical ID:
3951099
Name [?]:
N-(4-chlorophenyl)-2-(4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-acetamide
SMILES [?]:
c1ccc2c(c1)N(C(=O)CO2)CC(=O)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C16H13ClN2O3/c17-11-5-7-12(8-6-11)18-15(20)9-19-13-3-1-2-4-14(13)22-10-16(19)21/h1-8H,9-10H2,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,18,20,17,21,12,10,19,16,5,4,13,8,22,15,7,14,9,11/E:(5,6)(7,8)/rA:22nCCCCCCNCOCOCCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s4s10;s7;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13ClN2O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.06939
Area:497.781
Solvation:-4.37514
Coulombic:-45.5103
Bond Count [?]
All:24
Single:16
Double:8
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:316.739
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.16
LogP (Chemaxon):2.2

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