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Chemical ID: 4984966
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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