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Chemical ID: 4215915
Chemical ID:
4215915
Name [?]:
2-(3-chlorophenoxy)-N-[(3-methoxyphenyl)methyleneamino]acetamide
SMILES [?]:
COc1cccc(c1)C=NNC(=O)COc2cccc(c2)Cl
InChi [?]:
InChI=1/C16H15ClN2O3/c1-21-14-6-2-4-12(8-14)10-18-19-16(20)11-22-15-7-3-5-13(17)9-15/h2-10H,11H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,5,18,6,19,4,17,8,21,9,14,7,20,3,16,12,22,10,11,13,2,15/rA:22nCOCCCCCCCNNCOCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15ClN2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.7756 |
Area: | 538.469 |
Solvation: | -6.68611 |
Coulombic: | -33.1571 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 318.755 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.21 |
LogP (Chemaxon): | 3.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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