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Chemical ID: 5782728
Chemical ID:
5782728
Name [?]:
N-(4-chloro-2-methyl-phenyl)-4-(2-methylpropanoylamino)benzamide
SMILES [?]:
Cc1cc(ccc1NC(=O)c2ccc(cc2)NC(=O)C(C)C)Cl
InChi [?]:
InChI=1/C18H19ClN2O2/c1-11(2)17(22)20-15-7-4-13(5-8-15)18(23)21-16-9-6-14(19)10-12(16)3/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:21,22,1,12,16,5,13,15,6,3,20,2,11,4,14,7,18,9,23,17,8,19,10/E:(1,2)(4,5)(7,8)/rA:23nCCCCCCCNCOCCCCCCNCOCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;d18;s18;s20;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19ClN2O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9957 |
Area: | 549.479 |
Solvation: | -2.7413 |
Coulombic: | -42.8732 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 330.808 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.64 |
LogP (Chemaxon): | 3.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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