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Chemical ID: 5237743
Chemical ID:
5237743
Name [?]:
2-amino-N-(4-tert-butylphenyl)-benzamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)NC(=O)c2ccccc2N
InChi [?]:
InChI=1/C17H20N2O/c1-17(2,3)12-8-10-13(11-9-12)19-16(20)14-6-4-5-7-15(14)18/h4-11H,18H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,4,16,17,15,18,6,10,7,9,5,8,14,19,12,2,20,11,13/E:(1,2,3)(8,9)(10,11)/rA:20nCCCCCCCCCCNCOCCCCCCN/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20N2O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.81059 |
Area: | 468.933 |
Solvation: | -1.91273 |
Coulombic: | -40.398 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 268.354 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 4.42 |
LogP (Chemaxon): | 4.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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