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Chemical ID: 6884167
Chemical ID:
6884167
Name [?]:
N-(4-chloro-2-methyl-phenyl)-4-[(2-methoxyphenyl)carbamoylmethoxy]benzamide
SMILES [?]:
Cc1cc(ccc1NC(=O)c2ccc(cc2)OCC(=O)Nc3ccccc3OC)Cl
InChi [?]:
InChI=1/C23H21ClN2O4/c1-15-13-17(24)9-12-19(15)26-23(28)16-7-10-18(11-8-16)30-14-22(27)25-20-5-3-4-6-21(20)29-2/h3-13H,14H2,1-2H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,29,24,25,23,26,12,16,5,13,15,6,3,18,2,11,4,14,7,22,27,19,9,30,21,8,20,10,28,17/E:(7,8)(10,11)/rA:30nCCCCCCCNCOCCCCCCOCCONCCCCCCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;s28;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21ClN2O4 |
All Atoms: | 51 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7998 |
Area: | 668.47 |
Solvation: | -5.91193 |
Coulombic: | -58.305 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 424.877 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.41 |
LogP (Chemaxon): | 4.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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