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Chemical ID: 7323894
Chemical ID:
7323894
Name [?]:
N-[(2,6-dichlorophenyl)carbamoylmethyl]-N-methyl-cyclopentanecarboxamide
SMILES [?]:
CN(CC(=O)Nc1c(cccc1Cl)Cl)C(=O)C2CCCC2
InChi [?]:
InChI=1/C15H18Cl2N2O2/c1-19(15(21)10-5-2-3-6-10)9-13(20)18-14-11(16)7-4-8-12(14)17/h4,7-8,10H,2-3,5-6,9H2,1H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,19,20,10,18,21,9,11,3,17,8,12,4,7,15,14,13,6,2,5,16/E:(2,3)(5,6)(7,8)(11,12)(16,17)/rA:21nCNCCONCCCCCCClClCOCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s8;s2;d15;s15;s17;s18;s19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18Cl2N2O2 |
All Atoms: | 39 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.25854 |
Area: | 506.234 |
Solvation: | -3.3973 |
Coulombic: | -37.4395 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 329.221 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.18 |
LogP (Chemaxon): | 1.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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