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Chemical ID: 4747736
Chemical ID:
4747736
Name [?]:
2-amino-N-(4-isopropylphenyl)-benzamide
SMILES [?]:
CC(C)c1ccc(cc1)NC(=O)c2ccccc2N
InChi [?]:
InChI=1/C16H18N2O/c1-11(2)12-7-9-13(10-8-12)18-16(19)14-5-3-4-6-15(14)17/h3-11H,17H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,15,16,14,17,5,9,6,8,2,4,7,13,18,11,19,10,12/E:(1,2)(7,8)(9,10)/rA:19nCCCCCCCCCNCOCCCCCCN/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18N2O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.51737 |
Area: | 456.705 |
Solvation: | -1.90024 |
Coulombic: | -40.1691 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 254.327 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 4.01 |
LogP (Chemaxon): | 4.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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