Chemical ID: 5515958

CC(C)C(C(=O)NCCc1ccc(c(c1)OC)OC)NC(=O)c2ccccc2F
Chemical ID:
5515958
Name [?]:
N-[1-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-2-methyl-propyl]-2-fluoro-benzamide
SMILES [?]:
CC(C)C(C(=O)NCCc1ccc(c(c1)OC)OC)NC(=O)c2ccccc2F
InChi [?]:
InChI=1/C22H27FN2O4/c1-14(2)20(25-21(26)16-7-5-6-8-17(16)23)22(27)24-12-11-15-9-10-18(28-3)19(13-15)29-4/h5-10,13-14,20H,11-12H2,1-4H3,(H,24,27)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,3,19,17,25,26,24,27,11,12,9,8,15,2,10,23,28,13,14,4,21,5,29,7,20,22,6,18,16/E:(1,2)/rA:29cCCCCCONCCCCCCCCOCOCNCOCCCCCCF/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13;s18;s4;s20;d21;s21;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H27FN2O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:8.66125
Area:643.751
Solvation:-7.43254
Coulombic:-61.7602
Bond Count [?]
All:30
Single:22
Double:8
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:402.459
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.37
LogP (Chemaxon):2.94

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Descriptor Annotations

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