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Chemical ID: 6639192
Chemical ID:
6639192
Name [?]:
N-(2-benzoylphenyl)-2-phenoxy-acetamide
SMILES [?]:
c1ccc(cc1)C(=O)c2ccccc2NC(=O)COc3ccccc3
InChi [?]:
InChI=1/C21H17NO3/c23-20(15-25-17-11-5-2-6-12-17)22-19-14-8-7-13-18(19)21(24)16-9-3-1-4-10-16/h1-14H,15H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,23,2,6,22,24,11,12,3,5,21,25,10,13,18,4,20,9,14,16,7,15,17,8,19/E:(3,4)(5,6)(9,10)(11,12)/rA:25nCCCCCCCOCCCCCCNCOCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s11;d12;d9s13;s14;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17NO3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.28232 |
Area: | 551.553 |
Solvation: | -4.50651 |
Coulombic: | -40.079 |
Bond Count [?]
All: | 27 |
Single: | 16 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 331.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.66 |
LogP (Chemaxon): | 4.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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