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Chemical ID: 4283026
Chemical ID:
4283026
Name [?]:
N-(1-phenylethyl)furan-2-carboxamide
SMILES [?]:
CC(c1ccccc1)NC(=O)c2ccco2
InChi [?]:
InChI=1/C13H13NO2/c1-10(11-6-3-2-4-7-11)14-13(15)12-8-5-9-16-12/h2-10H,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,14,4,8,13,15,2,3,12,10,9,11,16/E:(3,4)(6,7)/rA:16cCCCCCCCCNCOCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;d12;s13;d14;s12s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H13NO2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.10425 |
Area: | 407.224 |
Solvation: | -2.07634 |
Coulombic: | -32.3435 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 215.248 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.36 |
LogP (Chemaxon): | 2.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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