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Chemical ID: 7346260
Chemical ID:
7346260
Name [?]:
N-[(2,4-dichlorophenyl)methyl]-N-methyl-4-phenyl-benzamide
SMILES [?]:
CN(Cc1ccc(cc1Cl)Cl)C(=O)c2ccc(cc2)c3ccccc3
InChi [?]:
InChI=1/C21H17Cl2NO/c1-24(14-18-11-12-19(22)13-20(18)23)21(25)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,22,24,21,25,16,18,15,19,5,6,8,3,20,17,14,4,7,9,12,11,10,2,13/E:(3,4)(5,6)(7,8)(9,10)/rA:25nCNCCCCCCCClClCOCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;s2;d12;s12;s14;d15;s16;d17;d14s18;s17;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17Cl2NO |
All Atoms: | 42 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6129 |
Area: | 562.267 |
Solvation: | -2.44376 |
Coulombic: | -21.8058 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 370.271 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 6.46 |
LogP (Chemaxon): | 5.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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