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Chemical ID: 3941316
Chemical ID:
3941316
Name [?]:
N-(3-chlorophenyl)-N'-cyclopentyl-pyrrolidine-1,2-dicarboxamide
SMILES [?]:
c1cc(cc(c1)Cl)NC(=O)N2CCCC2C(=O)NC3CCCC3
InChi [?]:
InChI=1/C17H22ClN3O2/c18-12-5-3-8-14(11-12)20-17(23)21-10-4-9-15(21)16(22)19-13-6-1-2-7-13/h3,5,8,11,13,15H,1-2,4,6-7,9-10H2,(H,19,22)(H,20,23)
InChi Info:
AuxInfo=1/1/N:21,22,1,13,6,20,23,2,14,12,4,5,19,3,15,16,9,7,18,8,11,17,10/E:(1,2)(6,7)/rA:23cCCCCCCClNCONCCCCCONCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;s13;s11s14;s15;d16;s16;s18;s19;s20;s21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22ClN3O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.3571 |
Area: | 544.681 |
Solvation: | -3.25991 |
Coulombic: | -51.8159 |
Bond Count [?]
All: | 25 |
Single: | 20 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 335.828 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.72 |
LogP (Chemaxon): | 2.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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