Chemical ID: 5326594

CN(C(CN1CCCC1)c2ccccc2)C(=O)Cc3ccc(c(c3)Cl)Cl
Chemical ID:
5326594
Name [?]:
2-(3,4-dichlorophenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
SMILES [?]:
CN(C(CN1CCCC1)c2ccccc2)C(=O)Cc3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C21H24Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,7,8,11,15,20,21,6,9,24,18,4,19,10,22,23,3,16,26,25,2,5,17/E:(3,4)(5,6)(7,8)(11,12)/rA:26cCNCCNCCCCCCCCCCCOCCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s3;s10;d11;s12;d13;d10s14;s2;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H24Cl2N2O
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:11.7921
Area:606.104
Solvation:-3.36047
Coulombic:-23.5459
Bond Count [?]
All:28
Single:21
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:391.334
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.8
LogP (Chemaxon):4.49

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Descriptor Annotations

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