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Chemical ID: 7261614
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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