Chemical ID: 7335200

CCc1ccc(cc1)C(C)NC(=O)c2ccc(c(c2)OC)OCc3ccc(cc3Cl)Cl
Chemical ID:
7335200
Name [?]:
4-[(2,4-dichlorophenyl)methoxy]-N-[1-(4-ethylphenyl)ethyl]-3-methoxy-benzamide
SMILES [?]:
CCc1ccc(cc1)C(C)NC(=O)c2ccc(c(c2)OC)OCc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C25H25Cl2NO3/c1-4-17-5-7-18(8-6-17)16(2)28-25(29)19-10-12-23(24(13-19)30-3)31-15-20-9-11-21(26)14-22(20)27/h5-14,16H,4,15H2,1-3H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,10,21,2,4,8,5,7,25,15,26,16,19,28,23,9,3,6,14,24,27,29,17,18,12,31,30,11,13,20,22/E:(5,6)(7,8)/rA:31cCCCCCCCCCCNCOCCCCCCOCOCCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s9;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;s20;s17;s22;s23;s24;d25;s26;d27;d24s28;s29;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H25Cl2NO3
All Atoms:56
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:13.1631
Area:717.566
Solvation:-4.77607
Coulombic:-40.2677
Bond Count [?]
All:33
Single:23
Double:10
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:458.376
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:7.08
LogP (Chemaxon):6.3

Name Annotations

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Descriptor Annotations

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