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Chemical ID: 4193456
Chemical ID:
4193456
Name [?]:
3-chloro-4-ethoxy-N-(3-methoxyphenyl)-benzamide
SMILES [?]:
CCOc1ccc(cc1Cl)C(=O)Nc2cccc(c2)OC
InChi [?]:
InChI=1/C16H16ClNO3/c1-3-21-15-8-7-11(9-14(15)17)16(19)18-12-5-4-6-13(10-12)20-2/h4-10H,3H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,21,2,16,15,17,6,5,8,19,7,14,18,9,4,11,10,13,12,20,3/rA:21nCCOCCCCCCClCONCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16ClNO3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.19832 |
Area: | 510.479 |
Solvation: | -4.56365 |
Coulombic: | -36.4034 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 305.756 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.87 |
LogP (Chemaxon): | 3.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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