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Chemical ID: 4323668
Chemical ID:
4323668
Name [?]:
2,3-dichloro-N-(2-naphthyl)benzamide
SMILES [?]:
c1ccc2cc(ccc2c1)NC(=O)c3cccc(c3Cl)Cl
InChi [?]:
InChI=1/C17H11Cl2NO/c18-15-7-3-6-14(16(15)19)17(21)20-13-9-8-11-4-1-2-5-12(11)10-13/h1-10H,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,16,10,3,15,17,8,7,5,9,4,6,14,18,19,12,21,20,11,13/rA:21nCCCCCCCCCCNCOCCCCCCClCl/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H11Cl2NO |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.76828 |
Area: | 485.974 |
Solvation: | -2.38107 |
Coulombic: | -23.8438 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 316.181 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.5 |
LogP (Chemaxon): | 5.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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