Chemical ID: 7529879

CC(C)C(C(=O)O)NC(=O)Nc1ccc(cc1Cl)Cl
Chemical ID:
7529879
Name [?]:
2-[(2,4-dichlorophenyl)carbamoylamino]-3-methyl-butanoic acid
SMILES [?]:
CC(C)C(C(=O)O)NC(=O)Nc1ccc(cc1Cl)Cl
InChi [?]:
InChI=1/C12H14Cl2N2O3/c1-6(2)10(11(17)18)16-12(19)15-9-4-3-7(13)5-8(9)14/h3-6,10H,1-2H3,(H,17,18)(H2,15,16,19)
InChi Info:
AuxInfo=1/1/N:1,3,14,13,16,2,15,17,12,4,5,9,19,18,11,8,6,7,10/E:(1,2)(17,18)/rA:19cCCCCCOONCONCCCCCCClCl/rB:s1;s2;s2;s4;d5;s5;s4;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14Cl2N2O3
All Atoms:33
Heavy Atoms:19
Chiral Atoms:None
ZAP Information [?]
Total:10.1016
Area:489.597
Solvation:-2.13832
Coulombic:-63.4081
Bond Count [?]
All:19
Single:14
Double:5
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.72
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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