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Chemical ID: 5003243
Chemical ID:
5003243
Name [?]:
N-[1-[(2-chlorophenyl)methylcarbamoyl]-2-(4-dimethylaminophenyl)-vinyl]benzamide
SMILES [?]:
CN(C)c1ccc(cc1)C=C(C(=O)NCc2ccccc2Cl)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C25H24ClN3O2/c1-29(2)21-14-12-18(13-15-21)16-23(28-24(30)19-8-4-3-5-9-19)25(31)27-17-20-10-6-7-11-22(20)26/h3-16H,17H2,1-2H3,(H,27,31)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,3,29,28,30,18,19,27,31,17,20,6,8,5,9,10,15,7,26,16,4,21,11,24,12,22,14,23,2,25,13/E:(1,2)(4,5)(8,9)(12,13)(14,15)/rA:31nCNCCCCCCCCCCONCCCCCCCClNCOCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s21;s11;s23;d24;s24;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H24ClN3O2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3535 |
Area: | 654.697 |
Solvation: | -4.01389 |
Coulombic: | -53.2619 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 433.93 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.54 |
LogP (Chemaxon): | 4.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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