Chemical ID: 3850643

CCOc1cc(c(cc1NC(=O)c2ccc(cc2)Cl)OCC)N
Chemical ID:
3850643
Name [?]:
N-(4-amino-2,5-diethoxy-phenyl)-4-chloro-benzamide
SMILES [?]:
CCOc1cc(c(cc1NC(=O)c2ccc(cc2)Cl)OCC)N
InChi [?]:
InChI=1/C17H19ClN2O3/c1-3-22-15-10-14(16(23-4-2)9-13(15)19)20-17(21)11-5-7-12(18)8-6-11/h5-10H,3-4,19H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:22,1,21,2,14,18,15,17,5,8,13,16,6,9,7,4,11,19,23,10,12,20,3/E:(5,6)(7,8)/rA:23nCCOCCCCCCNCOCCCCCCClOCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s7;s20;s21;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19ClN2O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.2552
Area:552.678
Solvation:-3.56172
Coulombic:-54.2954
Bond Count [?]
All:24
Single:17
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:334.797
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:3.05
LogP (Chemaxon):3.02

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Descriptor Annotations

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