Chemical ID: 6430513

CCCCC(=O)Nc1cc(c(cc1NCC)Cl)Cl
Chemical ID:
6430513
Name [?]:
N-(4,5-dichloro-2-ethylamino-phenyl)pentanamide
SMILES [?]:
CCCCC(=O)Nc1cc(c(cc1NCC)Cl)Cl
InChi [?]:
InChI=1/C13H18Cl2N2O/c1-3-5-6-13(18)17-12-8-10(15)9(14)7-11(12)16-4-2/h7-8,16H,3-6H2,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,16,2,15,3,4,12,9,11,10,13,8,5,17,18,14,7,6/rA:18nCCCCCONCCCCCCNCCClCl/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;s14;s15;s11;s10;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18Cl2N2O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:10.6344
Area:501.316
Solvation:-1.89848
Coulombic:-32.9482
Bond Count [?]
All:18
Single:14
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:289.2
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.98
LogP (Chemaxon):3.75

Name Annotations

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Descriptor Annotations

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