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Chemical ID: 4310250
Chemical ID:
4310250
Name [?]:
N-benzyl-2,5-dichloro-N-methyl-benzamide
SMILES [?]:
CN(Cc1ccccc1)C(=O)c2cc(ccc2Cl)Cl
InChi [?]:
InChI=1/C15H13Cl2NO/c1-18(10-11-5-3-2-4-6-11)15(19)13-9-12(16)7-8-14(13)17/h2-9H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,8,5,9,15,16,13,3,4,14,12,17,10,19,18,2,11/E:(3,4)(5,6)/rA:19nCNCCCCCCCCOCCCCCCClCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;d10;s10;s12;d13;s14;d15;d12s16;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13Cl2NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.82483 |
Area: | 474.358 |
Solvation: | -2.03413 |
Coulombic: | -20.1049 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 294.175 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.52 |
LogP (Chemaxon): | 4.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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