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Chemical ID: 4414216
Chemical ID:
4414216
Name [?]:
N-(3-chloro-4-methoxy-phenyl)-3-cyclohexyl-propanamide
SMILES [?]:
COc1ccc(cc1Cl)NC(=O)CCC2CCCCC2
InChi [?]:
InChI=1/C16H22ClNO2/c1-20-15-9-8-13(11-14(15)17)18-16(19)10-7-12-5-3-2-4-6-12/h8-9,11-12H,2-7,10H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,16,20,14,5,4,13,7,15,6,8,3,11,9,10,12,2/E:(3,4)(5,6)/rA:20nCOCCCCCCClNCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;s10;d11;s11;s13;s14;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H22ClNO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.55766 |
Area: | 505.328 |
Solvation: | -3.07553 |
Coulombic: | -28.607 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 295.804 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.08 |
LogP (Chemaxon): | 4.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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