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Chemical ID: 5618803
Chemical ID:
5618803
Name [?]:
N-[2-(4-chlorophenyl)-1-(cyclohexylcarbamoyl)vinyl]benzamide
SMILES [?]:
c1ccc(cc1)C(=O)NC(=Cc2ccc(cc2)Cl)C(=O)NC3CCCCC3
InChi [?]:
InChI=1/C22H23ClN2O2/c23-18-13-11-16(12-14-18)15-20(22(27)24-19-9-5-2-6-10-19)25-21(26)17-7-3-1-4-8-17/h1,3-4,7-8,11-15,19H,2,5-6,9-10H2,(H,24,27)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,25,2,6,24,26,3,5,23,27,13,17,14,16,11,12,4,15,22,10,7,19,18,21,9,8,20/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:27nCCCCCCCONCCCCCCCCClCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;w10;s11;s12;d13;s14;d15;d12s16;s15;s10;d19;s19;s21;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23ClN2O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.752 |
Area: | 602.216 |
Solvation: | -3.30341 |
Coulombic: | -46.5958 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 382.883 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.44 |
LogP (Chemaxon): | 4.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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