Chemical ID: 3991039

COc1cc(ccc1OCC(=O)Nc2ccccc2Cl)C=O
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

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