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Chemical ID: 6884214
Chemical ID:
6884214
Name [?]:
4-[(3,4-dichlorophenyl)carbamoylmethoxy]-N-phenethyl-benzamide
SMILES [?]:
c1ccc(cc1)CCNC(=O)c2ccc(cc2)OCC(=O)Nc3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C23H20Cl2N2O3/c24-20-11-8-18(14-21(20)25)27-22(28)15-30-19-9-6-17(7-10-19)23(29)26-13-12-16-4-2-1-3-5-16/h1-11,14H,12-13,15H2,(H,26,29)(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,13,17,24,14,16,25,7,8,28,19,4,12,23,15,26,27,20,10,30,29,9,22,21,11,18/E:(2,3)(4,5)(6,7)(9,10)/rA:30nCCCCCCCCNCOCCCCCCOCCONCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H20Cl2N2O3 |
All Atoms: | 50 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2612 |
Area: | 703.405 |
Solvation: | -5.32396 |
Coulombic: | -51.9997 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 443.322 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.19 |
LogP (Chemaxon): | 4.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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