Chemical ID: 5874007

CCOC(=O)CCN(CC(C)C)C(=O)Nc1ccc(cc1Cl)Cl
Chemical ID:
5874007
Name [?]:
ethyl 3-[(2,4-dichlorophenyl)carbamoyl-isobutyl-amino]propanoate
SMILES [?]:
CCOC(=O)CCN(CC(C)C)C(=O)Nc1ccc(cc1Cl)Cl
InChi [?]:
InChI=1/C16H22Cl2N2O3/c1-4-23-15(21)7-8-20(10-11(2)3)16(22)19-14-6-5-12(17)9-13(14)18/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,11,12,2,18,17,6,7,20,9,10,19,21,16,4,13,23,22,15,8,5,14,3/E:(2,3)/rA:23nCCOCOCCNCCCCCONCCCCCCClCl/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s10;s8;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H22Cl2N2O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:12.2173
Area:586.079
Solvation:-2.43465
Coulombic:-49.9736
Bond Count [?]
All:23
Single:18
Double:5
Rotors:10
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:361.263
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.66
LogP (Chemaxon):3.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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