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Chemical ID: 7362569

Cc1cccc(c1C)NC(=O)c2ccc(c(c2)[N+](=O)[O-])N3CCC(CC3)C

Chemical ID:

7362569

Name [?]:

N-(2,3-dimethylphenyl)-4-(4-methyl-1-piperidyl)-3-nitro-benzamide

SMILES [?]:

Cc1cccc(c1C)NC(=O)c2ccc(c(c2)[N+](=O)[O-])N3CCC(CC3)C

InChi [?]:

InChI=1/C21H25N3O3/c1-14-9-11-23(12-10-14)19-8-7-17(13-20(19)24(26)27)21(25)22-18-6-4-5-15(2)16(18)3/h4-8,13-14H,9-12H2,1-3H3,(H,22,25)

InChi Info:

AuxInfo=1/1/N:27,1,8,4,3,5,13,14,23,25,22,26,17,24,2,7,12,6,15,16,10,9,21,18,11,19,20/E:(9,10)(11,12)(26,27)/CRV:24.5/rA:27nCCCCCCCCNCOCCCCCCN+OO-NCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;d18;s18;s15;s21;s22;s23;s24;s21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₅N₃O₃
All Atoms:	52
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	5.4481
Area:	581.433
Solvation:	-9.08773
Coulombic:	-38.3549

Bond Count [?]

All:	29
Single:	21
Double:	8
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	367.442
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	5.01
LogP (Chemaxon):	4.66

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