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Chemical ID: 7359696
Chemical ID:
7359696
Name [?]:
N-[(2,3-dichlorophenyl)methyl]-4-iodo-N-methyl-benzamide
SMILES [?]:
CN(Cc1cccc(c1Cl)Cl)C(=O)c2ccc(cc2)I
InChi [?]:
InChI=1/C15H12Cl2INO/c1-19(9-11-3-2-4-13(16)14(11)17)15(20)10-5-7-12(18)8-6-10/h2-8H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,15,19,16,18,3,14,4,17,8,9,12,11,10,20,2,13/E:(5,6)(7,8)/rA:20nCNCCCCCCCClClCOCCCCCCI/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s8;s2;d12;s12;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12Cl2INO |
All Atoms: | 32 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3188 |
Area: | 497.126 |
Solvation: | -2.10938 |
Coulombic: | -20.2656 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 420.072 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.59 |
LogP (Chemaxon): | 4.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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