Chemical ID: 7261614

c1ccc(cc1)CN2CC(CC2=O)C(=O)NCc3ccc(cc3Cl)Cl
Chemical ID:
7261614
Name [?]:
1-benzyl-N-[(2,4-dichlorophenyl)methyl]-5-oxo-pyrrolidine-3-carboxamide
SMILES [?]:
c1ccc(cc1)CN2CC(CC2=O)C(=O)NCc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C19H18Cl2N2O2/c20-16-7-6-14(17(21)9-16)10-22-19(25)15-8-18(24)23(12-15)11-13-4-2-1-3-5-13/h1-7,9,15H,8,10-12H2,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,19,20,11,22,17,7,9,4,18,10,21,23,12,14,25,24,16,8,13,15/E:(2,3)(4,5)/rA:25cCCCCCCCNCCCCOCONCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s8s11;d12;s10;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18Cl2N2O2
All Atoms:43
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:11.4691
Area:596.988
Solvation:-3.45565
Coulombic:-38.1456
Bond Count [?]
All:27
Single:19
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:377.264
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.34
LogP (Chemaxon):3.05

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