Chemical ID: 6357760

CCc1cccc(c1NC(=O)CCCOc2ccc(cc2C)Cl)C
Chemical ID:
6357760
Name [?]:
4-(4-chloro-2-methyl-phenoxy)-N-(2-ethyl-6-methyl-phenyl)-butanamide
SMILES [?]:
CCc1cccc(c1NC(=O)CCCOc2ccc(cc2C)Cl)C
InChi [?]:
InChI=1/C20H24ClNO2/c1-4-16-8-5-7-14(2)20(16)22-19(23)9-6-12-24-18-11-10-17(21)13-15(18)3/h5,7-8,10-11,13H,4,6,9,12H2,1-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,22,2,5,13,6,4,12,18,17,14,20,7,21,3,19,16,10,8,23,9,11,15/rA:24nCCCCCCCCNCOCCCOCCCCCCCClC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s21;s19;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H24ClNO2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.8611
Area:582.301
Solvation:-3.69642
Coulombic:-28.4822
Bond Count [?]
All:25
Single:18
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:345.863
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.95
LogP (Chemaxon):4.32

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Descriptor Annotations

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