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Chemical ID: 3963534
Chemical ID:
3963534
Name [?]:
N-(5-butanoylamino-2-pyridyl)-3-chloro-benzamide
SMILES [?]:
CCCC(=O)Nc1ccc(nc1)NC(=O)c2cccc(c2)Cl
InChi [?]:
InChI=1/C16H16ClN3O2/c1-2-4-15(21)19-13-7-8-14(18-10-13)20-16(22)11-5-3-6-12(17)9-11/h3,5-10H,2,4H2,1H3,(H,19,21)(H,18,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,18,3,17,19,8,9,21,12,16,20,7,10,4,14,22,11,6,13,5,15/rA:22nCCCCONCCCCNCNCOCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16ClN3O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.43528 |
Area: | 536.648 |
Solvation: | -3.98093 |
Coulombic: | -45.5789 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 317.77 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.74 |
LogP (Chemaxon): | 3.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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