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Chemical ID: 4418260
Chemical ID:
4418260
Name [?]:
2,5-dichloro-N-(1-naphthyl)benzamide
SMILES [?]:
c1ccc2c(c1)cccc2NC(=O)c3cc(ccc3Cl)Cl
InChi [?]:
InChI=1/C17H11Cl2NO/c18-12-8-9-15(19)14(10-12)17(21)20-16-7-3-5-11-4-1-2-6-13(11)16/h1-10H,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,8,6,7,3,9,17,18,15,5,16,4,14,19,10,12,21,20,11,13/rA:21nCCCCCCCCCCNCOCCCCCCClCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s16;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H11Cl2NO |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.015 |
Area: | 489.872 |
Solvation: | -2.23183 |
Coulombic: | -24.0352 |
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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