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Chemical ID: 4391863
Chemical ID:
4391863
Name [?]:
N-(3-bromophenyl)-2-cyclohexyl-acetamide
SMILES [?]:
c1cc(cc(c1)Br)NC(=O)CC2CCCCC2
InChi [?]:
InChI=1/C14H18BrNO/c15-12-7-4-8-13(10-12)16-14(17)9-11-5-2-1-3-6-11/h4,7-8,10-11H,1-3,5-6,9H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:15,14,16,1,13,17,6,2,11,4,12,5,3,9,7,8,10/E:(2,3)(5,6)/rA:17nCCCCCCBrNCOCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18BrNO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.27792 |
Area: | 436.334 |
Solvation: | -1.63042 |
Coulombic: | -21.6486 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 296.203 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.77 |
LogP (Chemaxon): | 4.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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