Chemical ID: 3898872

CCCCC(=O)Nc1cc(c(cc1OC)NC(=O)c2ccc(cc2)Br)OC
Chemical ID:
3898872
Name [?]:
4-bromo-N-(2,5-dimethoxy-4-pentanoylamino-phenyl)-benzamide
SMILES [?]:
CCCCC(=O)Nc1cc(c(cc1OC)NC(=O)c2ccc(cc2)Br)OC
InChi [?]:
InChI=1/C20H23BrN2O4/c1-4-5-6-19(24)22-15-11-18(27-3)16(12-17(15)26-2)23-20(25)13-7-9-14(21)10-8-13/h7-12H,4-6H2,1-3H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,15,27,2,3,4,20,24,21,23,9,12,19,22,8,11,13,10,5,17,25,7,16,6,18,14,26/E:(7,8)(9,10)/rA:27nCCCCCONCCCCCCOCNCOCCCCCCBrOC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;s14;s11;s16;d17;s17;s19;d20;s21;d22;d19s23;s22;s10;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23BrN2O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.4849
Area:621.054
Solvation:-4.04146
Coulombic:-57.7814
Bond Count [?]
All:28
Single:20
Double:8
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:435.312
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.84
LogP (Chemaxon):4.14

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Descriptor Annotations

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