Chemical ID: 3963534

CCCC(=O)Nc1ccc(nc1)NC(=O)c2cccc(c2)Cl
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

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