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Chemical ID: 7281684

CN(Cc1ccc(cc1)F)C(=O)c2ccc(c(c2)[N+](=O)[O-])N3CCCCC3

Chemical ID:

7281684

Name [?]:

N-[(4-fluorophenyl)methyl]-N-methyl-3-nitro-4-(1-piperidyl)benzamide

SMILES [?]:

CN(Cc1ccc(cc1)F)C(=O)c2ccc(c(c2)[N+](=O)[O-])N3CCCCC3

InChi [?]:

InChI=1/C20H22FN3O3/c1-22(14-15-5-8-17(21)9-6-15)20(25)16-7-10-18(19(13-16)24(26)27)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12,14H2,1H3

InChi Info:

AuxInfo=1/0/N:1,25,24,26,5,9,14,6,8,15,23,27,18,3,4,13,7,16,17,11,10,2,22,19,12,20,21/E:(3,4)(5,6)(8,9)(11,12)(26,27)/CRV:24.5/rA:27nCNCCCCCCCFCOCCCCCCN+OO-NCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s2;d11;s11;s13;d14;s15;d16;d13s17;s17;d19;s19;s16;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₂FN₃O₃
All Atoms:	49
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	4.17033
Area:	565.767
Solvation:	-9.97384
Coulombic:	-38.1018

Bond Count [?]

All:	29
Single:	21
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	371.406
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	4.28
LogP (Chemaxon):	4.05

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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