Chemical ID: 4059603

CCOC(=O)C1CCCN(C1)C(=O)Nc2ccc(cc2Cl)Cl
Chemical ID:
4059603
Name [?]:
ethyl 1-[(2,4-dichlorophenyl)carbamoyl]piperidine-3-carboxylate
SMILES [?]:
CCOC(=O)C1CCCN(C1)C(=O)Nc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C15H18Cl2N2O3/c1-2-22-14(20)10-4-3-7-19(9-10)15(21)18-13-6-5-11(16)8-12(13)17/h5-6,8,10H,2-4,7,9H2,1H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,2,8,7,17,16,9,19,11,6,18,20,15,4,12,22,21,14,10,5,13,3/rA:22cCCOCOCCCCNCCONCCCCCCClCl/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s10;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18Cl2N2O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:11.0514
Area:537.266
Solvation:-2.38029
Coulombic:-49.7089
Bond Count [?]
All:23
Single:18
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:345.22
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.96
LogP (Chemaxon):2.55

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Descriptor Annotations

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