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Chemical ID: 4233600
Chemical ID:
4233600
Name [?]:
2-chloro-4-methyl-N-(1-naphthyl)benzamide
SMILES [?]:
Cc1ccc(c(c1)Cl)C(=O)Nc2cccc3c2cccc3
InChi [?]:
InChI=1/C18H14ClNO/c1-12-9-10-15(16(19)11-12)18(21)20-17-8-4-6-13-5-2-3-7-14(13)17/h2-11H,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,20,19,14,21,15,18,13,3,4,7,2,16,17,5,6,12,9,8,11,10/rA:21nCCCCCCCClCONCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14ClNO |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.78331 |
Area: | 477.522 |
Solvation: | -2.15474 |
Coulombic: | -24.226 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 295.763 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.32 |
LogP (Chemaxon): | 5.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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