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Chemical ID: 3991039
Chemical ID:
3991039
Name [?]:
N-(2-chlorophenyl)-2-(4-formyl-2-methoxy-phenoxy)-acetamide
SMILES [?]:
COc1cc(ccc1OCC(=O)Nc2ccccc2Cl)C=O
InChi [?]:
InChI=1/C16H14ClNO4/c1-21-15-8-11(9-19)6-7-14(15)22-10-16(20)18-13-5-3-2-4-12(13)17/h2-9H,10H2,1H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,15,6,7,4,21,10,5,19,14,8,3,11,20,13,22,12,2,9/rA:22nCOCCCCCCOCCONCCCCCCClCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s5;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14ClNO4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.58077 |
Area: | 523.493 |
Solvation: | -7.50657 |
Coulombic: | -41.7368 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 319.739 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.64 |
LogP (Chemaxon): | 2.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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