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Chemical ID: 5625337
Chemical ID:
5625337
Name [?]:
N-[1-carbamoyl-2-(4-dimethylaminophenyl)-vinyl]benzamide
SMILES [?]:
CN(C)c1ccc(cc1)C=C(C(=O)N)NC(=O)c2ccccc2
InChi [?]:
InChI=1/C18H19N3O2/c1-21(2)15-10-8-13(9-11-15)12-16(17(19)22)20-18(23)14-6-4-3-5-7-14/h3-12H,1-2H3,(H2,19,22)(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,3,21,20,22,19,23,6,8,5,9,10,7,18,4,11,12,16,14,15,2,13,17/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:23nCNCCCCCCCCCCONNCOCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;s11;s15;d16;s16;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19N3O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.20196 |
Area: | 517.943 |
Solvation: | -3.74661 |
Coulombic: | -55.3357 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 309.362 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 2.69 |
LogP (Chemaxon): | 2.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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