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Chemical ID: 5541084
Chemical ID:
5541084
Name [?]:
N-benzhydryl-2-chloro-N-methyl-benzamide
SMILES [?]:
CN(C(c1ccccc1)c2ccccc2)C(=O)c3ccccc3Cl
InChi [?]:
InChI=1/C21H18ClNO/c1-23(21(24)18-14-8-9-15-19(18)22)20(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15,20H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,13,6,8,12,14,20,21,5,9,11,15,19,22,4,10,18,23,3,16,24,2,17/E:(2,3)(4,5,6,7)(10,11,12,13)(16,17)/rA:24nCNCCCCCCCCCCCCCCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;s10;d11;s12;d13;d10s14;s2;d16;s16;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H18ClNO |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.641 |
Area: | 519.781 |
Solvation: | -2.3535 |
Coulombic: | -22.6703 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 335.826 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.48 |
LogP (Chemaxon): | 5.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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