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Chemical ID: 4155109
Chemical ID:
4155109
Name [?]:
N-(3-chlorophenyl)-4-(3-methylphenoxy)-butanamide
SMILES [?]:
Cc1cccc(c1)OCCCC(=O)Nc2cccc(c2)Cl
InChi [?]:
InChI=1/C17H18ClNO2/c1-13-5-2-8-16(11-13)21-10-4-9-17(20)19-15-7-3-6-14(18)12-15/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,4,17,10,3,18,16,5,11,9,7,20,2,19,15,6,12,21,14,13,8/rA:21nCCCCCCCOCCCCONCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18ClNO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.60224 |
Area: | 530.564 |
Solvation: | -3.66185 |
Coulombic: | -28.6153 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 303.783 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.25 |
LogP (Chemaxon): | 4.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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