Chemical ID: 5582166

CN(C(c1ccccc1)c2ccccc2)C(=O)c3ccco3
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

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Experimental Annotations

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Descriptor Annotations

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