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Chemical ID: 4410732
Chemical ID:
4410732
Name [?]:
3-chloro-N-(2,4-dimethoxyphenyl)-4-methoxy-benzamide
SMILES [?]:
COc1ccc(c(c1)OC)NC(=O)c2ccc(c(c2)Cl)OC
InChi [?]:
InChI=1/C16H16ClNO4/c1-20-11-5-6-13(15(9-11)22-3)18-16(19)10-4-7-14(21-2)12(17)8-10/h4-9H,1-3H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,22,10,15,4,5,16,19,8,14,3,18,6,17,7,12,20,11,13,2,21,9/rA:22nCOCCCCCCOCNCOCCCCCCClOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;s17;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16ClNO4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.80369 |
Area: | 518.734 |
Solvation: | -5.16467 |
Coulombic: | -43.7474 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 321.755 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.36 |
LogP (Chemaxon): | 2.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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