Chemical ID: 6632089

CCCCOc1ccc(cc1)C=NNC(=O)CNC(=O)c2ccccc2Cl
Chemical ID:
6632089
Name [?]:
N-[(4-butoxyphenyl)methyleneaminocarbamoylmethyl]-2-chloro-benzamide
SMILES [?]:
CCCCOc1ccc(cc1)C=NNC(=O)CNC(=O)c2ccccc2Cl
InChi [?]:
InChI=1/C20H22ClN3O3/c1-2-3-12-27-16-10-8-15(9-11-16)13-23-24-19(25)14-22-20(26)17-6-4-5-7-18(17)21/h4-11,13H,2-3,12,14H2,1H3,(H,22,26)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,3,23,24,22,25,8,10,7,11,4,12,17,9,6,21,26,15,19,27,18,13,14,16,20,5/E:(8,9)(10,11)/rA:27nCCCCOCCCCCCCNNCOCNCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;w12;s13;s14;d15;s15;s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22ClN3O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.8453
Area:645.884
Solvation:-5.30185
Coulombic:-49.1084
Bond Count [?]
All:28
Single:19
Double:9
Rotors:11
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:387.86
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:5.05
LogP (Chemaxon):3.64

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