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Chemical ID: 7490468
Chemical ID:
7490468
Name [?]:
2-[2-(4-chlorophenoxy)propanoylamino]-N-phenethyl-benzamide
SMILES [?]:
CC(C(=O)Nc1ccccc1C(=O)NCCc2ccccc2)Oc3ccc(cc3)Cl
InChi [?]:
InChI=1/C24H23ClN2O3/c1-17(30-20-13-11-19(25)12-14-20)23(28)27-22-10-6-5-9-21(22)24(29)26-16-15-18-7-3-2-4-8-18/h2-14,17H,15-16H2,1H3,(H,26,29)(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,9,8,18,22,10,7,26,28,25,29,16,15,2,17,27,24,11,6,3,12,30,14,5,4,13,23/E:(3,4)(7,8)(11,12)(13,14)/rA:30cCCCONCCCCCCCONCCCCCCCCOCCCCCCCl/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s11;d12;s12;s14;s15;s16;s17;d18;s19;d20;d17s21;s2;s23;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23ClN2O3 |
All Atoms: | 53 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.8269 |
Area: | 683.742 |
Solvation: | -4.26669 |
Coulombic: | -54.103 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 422.904 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.52 |
LogP (Chemaxon): | 5.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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