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Chemical ID: 6671197
Chemical ID:
6671197
Name [?]:
N,N-bis(1-phenylethyl)benzamide
SMILES [?]:
CC(c1ccccc1)N(C(C)c2ccccc2)C(=O)c3ccccc3
InChi [?]:
InChI=1/C23H23NO/c1-18(20-12-6-3-7-13-20)24(19(2)21-14-8-4-9-15-21)23(25)22-16-10-5-11-17-22/h3-19H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,6,15,23,5,7,14,16,22,24,4,8,13,17,21,25,2,10,3,12,20,18,9,19/E:(1,2)(3,4)(6,7,8,9)(10,11)(12,13,14,15)(16,17)(18,19)(20,21)/rA:25cCCCCCCCCNCCCCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;s10;s10;s12;d13;s14;d15;d12s16;s9;d18;s18;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23NO |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.8349 |
Area: | 513.928 |
Solvation: | -2.01335 |
Coulombic: | -23.0957 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 329.435 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 6.04 |
LogP (Chemaxon): | 5.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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