Chemical ID: 6851833

CCCCc1ccc(cc1)NC(=O)c2ccc(cc2)OC(C)C(=O)Nc3ccccc3Cl
Chemical ID:
6851833
Name [?]:
N-(4-butylphenyl)-4-[1-[(2-chlorophenyl)carbamoyl]ethoxy]benzamide
SMILES [?]:
CCCCc1ccc(cc1)NC(=O)c2ccc(cc2)OC(C)C(=O)Nc3ccccc3Cl
InChi [?]:
InChI=1/C26H27ClN2O3/c1-3-4-7-19-10-14-21(15-11-19)28-26(31)20-12-16-22(17-13-20)32-18(2)25(30)29-24-9-6-5-8-23(24)27/h5-6,8-18H,3-4,7H2,1-2H3,(H,28,31)(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,22,2,3,29,28,4,30,27,6,10,15,19,7,9,16,18,21,5,14,8,17,31,26,23,12,32,11,25,24,13,20/E:(10,11)(12,13)(14,15)(16,17)/rA:32cCCCCCCCCCCNCOCCCCCCOCCCONCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;s20;s21;s21;d23;s23;s25;s26;d27;s28;d29;d26s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H27ClN2O3
All Atoms:59
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:13.6718
Area:728.76
Solvation:-4.54723
Coulombic:-53.3755
Bond Count [?]
All:34
Single:23
Double:11
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:450.957
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:6.83
LogP (Chemaxon):5.99

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Descriptor Annotations

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