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Chemical ID: 4421501
Chemical ID:
4421501
Name [?]:
4-amino-N-(tetrahydrofuran-2-ylmethyl)benzamide
SMILES [?]:
c1cc(ccc1C(=O)NCC2CCCO2)N
InChi [?]:
InChI=1/C12H16N2O2/c13-10-5-3-9(4-6-10)12(15)14-8-11-2-1-7-16-11/h3-6,11H,1-2,7-8,13H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:13,12,1,5,2,4,14,10,6,3,11,7,16,9,8,15/E:(3,4)(5,6)/rA:16cCCCCCCCONCCCCCON/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s13;s11s14;s3;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16N2O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.36172 |
Area: | 416.763 |
Solvation: | -3.05735 |
Coulombic: | -46.4676 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 220.268 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 0.96 |
LogP (Chemaxon): | 0.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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