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Chemical ID: 4427074
Chemical ID:
4427074
Name [?]:
N-(3-chloro-4-methoxy-phenyl)-2-phenyl-propanamide
SMILES [?]:
CC(c1ccccc1)C(=O)Nc2ccc(c(c2)Cl)OC
InChi [?]:
InChI=1/C16H16ClNO2/c1-11(12-6-4-3-5-7-12)16(19)18-13-8-9-15(20-2)14(17)10-13/h3-11H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,20,6,5,7,4,8,13,14,17,2,3,12,16,15,9,18,11,10,19/E:(4,5)(6,7)/rA:20cCCCCCCCCCONCCCCCCClOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s15;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16ClNO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.45165 |
Area: | 484.889 |
Solvation: | -3.67057 |
Coulombic: | -29.2086 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 289.756 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.56 |
LogP (Chemaxon): | 4.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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