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Chemical ID: 4230207
Chemical ID:
4230207
Name [?]:
N-[(2,4-dichlorophenyl)methyl]-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)NCc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C15H13Cl2NO/c1-10-2-4-11(5-3-10)15(19)18-9-12-6-7-13(16)8-14(12)17/h2-8H,9H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,13,14,16,11,2,5,12,15,17,8,19,18,10,9/E:(2,3)(4,5)/rA:19nCCCCCCCCONCCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13Cl2NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5401 |
Area: | 491.427 |
Solvation: | -1.74554 |
Coulombic: | -25.0543 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 294.175 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.82 |
LogP (Chemaxon): | 4.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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