Chemical ID: 4984966

CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(c(c2)Cl)OC
Chemical ID:
4984966
Name [?]:
N-(3-chloro-4-methoxy-phenyl)-4-tert-butyl-benzamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(c(c2)Cl)OC
InChi [?]:
InChI=1/C18H20ClNO2/c1-18(2,3)13-7-5-12(6-8-13)17(21)20-14-9-10-16(22-4)15(19)11-14/h5-11H,1-4H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,4,22,7,9,6,10,15,16,19,8,5,14,18,17,11,2,20,13,12,21/E:(1,2,3)(5,6)(7,8)/rA:22nCCCCCCCCCCCONCCCCCCClOC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s17;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20ClNO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.027
Area:528.547
Solvation:-3.18669
Coulombic:-30.9711
Bond Count [?]
All:23
Single:16
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:317.81
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.35
LogP (Chemaxon):5.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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