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Chemical ID: 5540930
Chemical ID:
5540930
Name [?]:
N-(5-butanoylamino-2-chloro-phenyl)-3-methyl-butanamide
SMILES [?]:
CCCC(=O)Nc1ccc(c(c1)NC(=O)CC(C)C)Cl
InChi [?]:
InChI=1/C15H21ClN2O2/c1-4-5-14(19)17-11-6-7-12(16)13(9-11)18-15(20)8-10(2)3/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,19)(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,18,19,2,3,8,9,16,12,17,7,10,11,4,14,20,6,13,5,15/E:(2,3)/rA:20nCCCCONCCCCCCNCOCCCCCl/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s11;s13;d14;s14;s16;s17;s17;s10;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21ClN2O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2755 |
Area: | 517.639 |
Solvation: | -2.66551 |
Coulombic: | -40.6878 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 296.792 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.3 |
LogP (Chemaxon): | 2.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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