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Chemical ID: 7263044

Chemical ID:

7263044

Name [?]:

N-[5-chloro-2-(1-piperidyl)phenyl]-4-cyano-benzamide

SMILES [?]:

c1cc(ccc1C#N)C(=O)Nc2cc(ccc2N3CCCCC3)Cl

InChi [?]:

InChI=1/C19H18ClN3O/c20-16-8-9-18(23-10-2-1-3-11-23)17(12-16)22-19(24)15-6-4-14(13-21)5-7-15/h4-9,12H,1-3,10-11H2,(H,22,24)

InChi Info:

AuxInfo=1/1/N:21,20,22,1,5,2,4,15,16,19,23,13,7,6,3,14,12,17,9,24,8,11,18,10/E:(2,3)(4,5)(6,7)(10,11)/rA:24nCCCCCCCNCONCCCCCCNCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;t7;s3;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s18;s19;s20;s21;s18s22;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₈ClN₃O
All Atoms:	42
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	11.5609
Area:	557.886
Solvation:	-2.38623
Coulombic:	-33.0172

Bond Count [?]

All:	26
Single:	18
Double:	7
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	339.819
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	4.41
LogP (Chemaxon):	4.42

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value