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Chemical ID: 7208935

c1ccc(cc1)CNC(=O)c2ccc(cc2)COc3ccc(cc3)[N+](=O)[O-]

Chemical ID:

7208935

Name [?]:

N-benzyl-4-[(4-nitrophenoxy)methyl]benzamide

SMILES [?]:

c1ccc(cc1)CNC(=O)c2ccc(cc2)COc3ccc(cc3)[N+](=O)[O-]

InChi [?]:

InChI=1/C21H18N2O4/c24-21(22-14-16-4-2-1-3-5-16)18-8-6-17(7-9-18)15-27-20-12-10-19(11-13-20)23(25)26/h1-13H,14-15H2,(H,22,24)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,13,15,12,16,21,23,20,24,7,17,4,14,11,22,19,9,8,25,10,26,27,18/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(25,26)/CRV:23.5/rA:27nCCCCCCCNCOCCCCCCCOCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;s18;s19;d20;s21;d22;d19s23;s22;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₈N₂O₄
All Atoms:	45
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	6.17543
Area:	612.21
Solvation:	-9.12982
Coulombic:	-43.2341

Bond Count [?]

All:	29
Single:	18
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	362.379
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	4.53
LogP (Chemaxon):	4.2

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