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Chemical ID: 5582166
Chemical ID:
5582166
Name [?]:
N-benzhydryl-N-methyl-furan-2-carboxamide
SMILES [?]:
CN(C(c1ccccc1)c2ccccc2)C(=O)c3ccco3
InChi [?]:
InChI=1/C19H17NO2/c1-20(19(21)17-13-8-14-22-17)18(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-14,18H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,13,6,8,12,14,20,5,9,11,15,19,21,4,10,18,3,16,2,17,22/E:(2,3)(4,5,6,7)(9,10,11,12)(15,16)/rA:22nCNCCCCCCCCCCCCCCOCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;s10;d11;s12;d13;d10s14;s2;d16;s16;d18;s19;d20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.51897 |
Area: | 479.503 |
Solvation: | -2.46861 |
Coulombic: | -29.9271 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 291.344 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.55 |
LogP (Chemaxon): | 3.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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