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Chemical ID: 7361583
Chemical ID:
7361583
Name [?]:
4-[2-[4-(hydroxymethyl)phenoxy]acetyl]aminobenzamide
SMILES [?]:
c1cc(ccc1CO)OCC(=O)Nc2ccc(cc2)C(=O)N
InChi [?]:
InChI=1/C16H16N2O4/c17-16(21)12-3-5-13(6-4-12)18-15(20)10-22-14-7-1-11(9-19)2-8-14/h1-8,19H,9-10H2,(H2,17,21)(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,5,16,18,15,19,2,4,7,10,6,17,14,3,11,20,22,13,8,12,21,9/E:(1,2)(3,4)(5,6)(7,8)/rA:22nCCCCCCCOOCCONCCCCCCCON/rB:s1;d2;s3;d4;d1s5;s6;s7;s3;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16N2O4 |
All Atoms: | 38 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.42764 |
Area: | 519.113 |
Solvation: | -6.55017 |
Coulombic: | -69.851 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 300.309 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | 0.75 |
LogP (Chemaxon): | 0.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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