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Chemical ID: 4228396
Chemical ID:
4228396
Name [?]:
N-(3,4-dichlorophenyl)-3-phenyl-propanamide
SMILES [?]:
c1ccc(cc1)CCC(=O)Nc2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C15H13Cl2NO/c16-13-8-7-12(10-14(13)17)18-15(19)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,7,13,14,8,17,4,12,15,16,9,19,18,11,10/E:(2,3)(4,5)/rA:19nCCCCCCCCCONCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s15;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13Cl2NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2916 |
Area: | 493.739 |
Solvation: | -2.05187 |
Coulombic: | -22.5369 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 294.175 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.22 |
LogP (Chemaxon): | 4.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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