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Chemical ID: 4408799

c1cc(cc(c1)[N+](=O)[O-])NC(=O)C2CCN(CC2)C(=O)c3ccc(cc3)F

Chemical ID:

4408799

Name [?]:

1-(4-fluorobenzoyl)-N-(3-nitrophenyl)-piperidine-4-carboxamide

SMILES [?]:

c1cc(cc(c1)[N+](=O)[O-])NC(=O)C2CCN(CC2)C(=O)c3ccc(cc3)F

InChi [?]:

InChI=1/C19H18FN3O4/c20-15-6-4-14(5-7-15)19(25)22-10-8-13(9-11-22)18(24)21-16-2-1-3-17(12-16)23(26)27/h1-7,12-13H,8-11H2,(H,21,24)

InChi Info:

AuxInfo=1/1/N:1,2,6,22,26,23,25,14,18,15,17,4,13,21,24,3,5,11,19,27,10,16,7,12,20,8,9/E:(4,5)(6,7)(8,9)(10,11)(26,27)/CRV:23.5/rA:27nCCCCCCN+OO-NCOCCCNCCCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s3;s10;d11;s11;s13;s14;s15;s16;s13s17;s16;d19;s19;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₈FN₃O₄
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	4.83649
Area:	571.055
Solvation:	-9.43987
Coulombic:	-52.3684

Bond Count [?]

All:	29
Single:	20
Double:	9
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	371.362
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	2.77
LogP (Chemaxon):	2.88

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value