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Chemical ID: 4326095
Chemical ID:
4326095
Name [?]:
3-chloro-4-ethoxy-N-(1-naphthyl)benzamide
SMILES [?]:
CCOc1ccc(cc1Cl)C(=O)Nc2cccc3c2cccc3
InChi [?]:
InChI=1/C19H16ClNO2/c1-2-23-18-11-10-14(12-16(18)20)19(22)21-17-9-5-7-13-6-3-4-8-15(13)17/h3-12H,2H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,22,21,16,23,17,20,15,6,5,8,18,7,19,9,14,4,11,10,13,12,3/rA:23nCCOCCCCCCClCONCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;d20;s21;s18d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16ClNO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.95945 |
Area: | 529.327 |
Solvation: | -3.27374 |
Coulombic: | -31.2479 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 325.789 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.22 |
LogP (Chemaxon): | 4.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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