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Chemical ID: 6631962
Chemical ID:
6631962
Name [?]:
2-chloro-N-[(4-ethoxyphenyl)methyleneaminocarbamoylmethyl]benzamide
SMILES [?]:
CCOc1ccc(cc1)C=NNC(=O)CNC(=O)c2ccccc2Cl
InChi [?]:
InChI=1/C18H18ClN3O3/c1-2-25-14-9-7-13(8-10-14)11-21-22-17(23)12-20-18(24)15-5-3-4-6-16(15)19/h3-11H,2,12H2,1H3,(H,20,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,21,22,20,23,6,8,5,9,10,15,7,4,19,24,13,17,25,16,11,12,14,18,3/E:(7,8)(9,10)/rA:25nCCOCCCCCCCNNCOCNCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s13;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18ClN3O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.48227 |
Area: | 593.263 |
Solvation: | -5.34932 |
Coulombic: | -48.3115 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 359.807 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.13 |
LogP (Chemaxon): | 2.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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