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Chemical ID: 5502374

c1cc(ccc1CNC(=O)c2cc(ccc2N3CCCCC3)[N+](=O)[O-])F

Chemical ID:

5502374

Name [?]:

N-[(4-fluorophenyl)methyl]-5-nitro-2-(1-piperidyl)benzamide

SMILES [?]:

c1cc(ccc1CNC(=O)c2cc(ccc2N3CCCCC3)[N+](=O)[O-])F

InChi [?]:

InChI=1/C19H20FN3O3/c20-15-6-4-14(5-7-15)13-21-19(24)17-12-16(23(25)26)8-9-18(17)22-10-2-1-3-11-22/h4-9,12H,1-3,10-11,13H2,(H,21,24)

InChi Info:

AuxInfo=1/1/N:20,19,21,1,5,2,4,14,15,18,22,12,7,6,3,13,11,16,9,26,8,17,23,10,24,25/E:(2,3)(4,5)(6,7)(10,11)(25,26)/CRV:23.5/rA:26nCCCCCCCNCOCCCCCCNCCCCCN+OO-F/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s17;s18;s19;s20;s17s21;s13;d23;s23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₀FN₃O₃
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	4.65764
Area:	562.113
Solvation:	-9.39519
Coulombic:	-42.0206

Bond Count [?]

All:	28
Single:	20
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	357.379
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	4.14
LogP (Chemaxon):	3.8

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