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Chemical ID: 6590545
Chemical ID:
6590545
Name [?]:
N-(2-bromo-4-methyl-phenyl)cyclobutanecarboxamide
SMILES [?]:
Cc1ccc(c(c1)Br)NC(=O)C2CCC2
InChi [?]:
InChI=1/C12H14BrNO/c1-8-5-6-11(10(13)7-8)14-12(15)9-3-2-4-9/h5-7,9H,2-4H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,3,4,7,2,12,6,5,10,8,9,11/E:(3,4)/rA:15nCCCCCCCBrNCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s12s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14BrNO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.55487 |
Area: | 399.975 |
Solvation: | -1.44452 |
Coulombic: | -21.4843 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 268.15 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.29 |
LogP (Chemaxon): | 3.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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