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Chemical ID: 7258637
Chemical ID:
7258637
Name [?]:
4-chloro-N-[2-[(2-ethyl-6-methyl-phenyl)carbamoyl]ethyl]benzamide
SMILES [?]:
CCc1cccc(c1NC(=O)CCNC(=O)c2ccc(cc2)Cl)C
InChi [?]:
InChI=1/C19H21ClN2O2/c1-3-14-6-4-5-13(2)18(14)22-17(23)11-12-21-19(24)15-7-9-16(20)10-8-15/h4-10H,3,11-12H2,1-2H3,(H,21,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,2,5,6,4,18,22,19,21,12,13,7,3,17,20,10,8,15,23,14,9,11,16/E:(7,8)(9,10)/rA:24nCCCCCCCCNCOCCNCOCCCCCCClC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21ClN2O2 |
All Atoms: | 45 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.021 |
Area: | 576.538 |
Solvation: | -3.39244 |
Coulombic: | -42.9443 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 344.835 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.86 |
LogP (Chemaxon): | 2.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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