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Chemical ID: 6302102
Chemical ID:
6302102
Name [?]:
2-(3-chlorophenoxy)-N-(2-naphthyl)acetamide
SMILES [?]:
c1ccc2cc(ccc2c1)NC(=O)COc3cccc(c3)Cl
InChi [?]:
InChI=1/C18H14ClNO2/c19-15-6-3-7-17(11-15)22-12-18(21)20-16-9-8-13-4-1-2-5-14(13)10-16/h1-11H,12H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,18,10,3,19,17,8,7,5,21,14,9,4,20,6,16,12,22,11,13,15/rA:22nCCCCCCCCCCNCOCOCCCCCCCl/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14ClNO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.70724 |
Area: | 517.074 |
Solvation: | -4.21961 |
Coulombic: | -29.943 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 311.762 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.56 |
LogP (Chemaxon): | 4.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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