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Chemical ID: 6493330
Chemical ID:
6493330
Name [?]:
N-(3-chloro-4-methoxy-phenyl)-3-methoxy-benzamide
SMILES [?]:
COc1cccc(c1)C(=O)Nc2ccc(c(c2)Cl)OC
InChi [?]:
InChI=1/C15H14ClNO3/c1-19-12-5-3-4-10(8-12)15(18)17-11-6-7-14(20-2)13(16)9-11/h3-9H,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,20,5,6,4,13,14,8,17,7,12,3,16,15,9,18,11,10,2,19/rA:20nCOCCCCCCCONCCCCCCClOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s15;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14ClNO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.38856 |
Area: | 484.405 |
Solvation: | -4.72155 |
Coulombic: | -36.147 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 291.729 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.45 |
LogP (Chemaxon): | 3.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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