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Chemical ID: 4188388
Chemical ID:
4188388
Name [?]:
N-[4-(2-phenylacetyl)aminophenyl]furan-2-carboxamide
SMILES [?]:
c1ccc(cc1)CC(=O)Nc2ccc(cc2)NC(=O)c3ccco3
InChi [?]:
InChI=1/C19H16N2O3/c22-18(13-14-5-2-1-3-6-14)20-15-8-10-16(11-9-15)21-19(23)17-7-4-12-24-17/h1-12H,13H2,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,22,3,5,21,12,16,13,15,23,7,4,11,14,20,8,18,10,17,9,19,24/E:(2,3)(5,6)(8,9)(10,11)/rA:24nCCCCCCCCONCCCCCCNCOCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;s17;d18;s18;d20;s21;d22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16N2O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.55836 |
Area: | 540.536 |
Solvation: | -3.95505 |
Coulombic: | -50.4393 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 320.342 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.05 |
LogP (Chemaxon): | 3.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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