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Chemical ID: 4143712
Chemical ID:
4143712
Name [?]:
2-(2-chlorophenoxy)-N-(1-naphthyl)acetamide
SMILES [?]:
c1ccc2c(c1)cccc2NC(=O)COc3ccccc3Cl
InChi [?]:
InChI=1/C18H14ClNO2/c19-15-9-3-4-11-17(15)22-12-18(21)20-16-10-5-7-13-6-1-2-8-14(13)16/h1-11H,12H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,19,18,8,6,7,3,20,9,17,14,5,4,21,10,16,12,22,11,13,15/rA:22nCCCCCCCCCCNCOCOCCCCCCCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14ClNO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.30472 |
Area: | 507.674 |
Solvation: | -4.38714 |
Coulombic: | -30.5894 |
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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