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Chemical ID: 4241360
Chemical ID:
4241360
Name [?]:
N-(3-chloro-4-methoxy-phenyl)-2-(p-tolyl)acetamide
SMILES [?]:
Cc1ccc(cc1)CC(=O)Nc2ccc(c(c2)Cl)OC
InChi [?]:
InChI=1/C16H16ClNO2/c1-11-3-5-12(6-4-11)9-16(19)18-13-7-8-15(20-2)14(17)10-13/h3-8,10H,9H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,20,3,7,4,6,13,14,8,17,2,5,12,16,15,9,18,11,10,19/E:(3,4)(5,6)/rA:20nCCCCCCCCCONCCCCCCClOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;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: | 0 |
ZAP Information [?]
Total: | 8.38663 |
Area: | 491.927 |
Solvation: | -3.91155 |
Coulombic: | -28.1068 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 289.756 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.78 |
LogP (Chemaxon): | 3.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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