Chemical ID: 7020121

CCCCOc1ccc(cc1)C(NC(=O)c2ccc(cc2)Cl)NC(=O)c3ccc(cc3)Cl
Chemical ID:
7020121
Name [?]:
N-[(4-butoxyphenyl)-(4-chlorobenzoyl)amino-methyl]-4-chloro-benzamide
SMILES [?]:
CCCCOc1ccc(cc1)C(NC(=O)c2ccc(cc2)Cl)NC(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C25H24Cl2N2O3/c1-2-3-16-32-22-14-8-17(9-15-22)23(28-24(30)18-4-10-20(26)11-5-18)29-25(31)19-6-12-21(27)13-7-19/h4-15,23H,2-3,16H2,1H3,(H,28,30)(H,29,31)
InChi Info:
AuxInfo=1/1/N:1,2,3,17,21,27,31,8,10,18,20,28,30,7,11,4,9,16,26,19,29,6,12,14,24,22,32,13,23,15,25,5/E:(4,5,6,7)(8,9)(10,11,12,13)(14,15)(18,19)(20,21)(24,25)(26,27)(28,29)(30,31)/gE:(1,2)/rA:32nCCCCOCCCCCCCNCOCCCCCCClNCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;s12;s23;d24;s24;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H24Cl2N2O3
All Atoms:56
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:14.0358
Area:746.028
Solvation:-4.61491
Coulombic:-54.6621
Bond Count [?]
All:34
Single:23
Double:11
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:471.375
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:7.1
LogP (Chemaxon):5.82

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Descriptor Annotations

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