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Chemical ID: 5445649
Chemical ID:
5445649
Name [?]:
2-anilino-N-(2,5-dichlorophenyl)-acetamide
SMILES [?]:
c1ccc(cc1)NCC(=O)Nc2cc(ccc2Cl)Cl
InChi [?]:
InChI=1/C14H12Cl2N2O/c15-10-6-7-12(16)13(8-10)18-14(19)9-17-11-4-2-1-3-5-11/h1-8,17H,9H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,15,16,13,8,14,4,17,12,9,19,18,7,11,10/E:(2,3)(4,5)/rA:19nCCCCCCNCCONCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12Cl2N2O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0004 |
Area: | 491.114 |
Solvation: | -2.27748 |
Coulombic: | -34.7147 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 295.163 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.65 |
LogP (Chemaxon): | 3.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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