Chemical ID: 7268531

CCOc1ccc(cc1OCC)NC(=O)CNc2ccccc2F
Chemical ID:
7268531
Name [?]:
N-(3,4-diethoxyphenyl)-2-(2-fluorophenyl)amino-acetamide
SMILES [?]:
CCOc1ccc(cc1OCC)NC(=O)CNc2ccccc2F
InChi [?]:
InChI=1/C18H21FN2O3/c1-3-23-16-10-9-13(11-17(16)24-4-2)21-18(22)12-20-15-8-6-5-7-14(15)19/h5-11,20H,3-4,12H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,12,2,11,21,20,22,19,6,5,8,16,7,23,18,4,9,14,24,17,13,15,3,10/rA:24nCCOCCCCCCOCCNCOCNCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21FN2O3
All Atoms:45
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:7.35208
Area:559.914
Solvation:-6.64576
Coulombic:-50.6669
Bond Count [?]
All:25
Single:18
Double:7
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:332.369
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.97
LogP (Chemaxon):3.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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