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Chemical ID: 4190150

Cc1cc(ccc1NC(=O)c2ccccc2)NC(=O)c3cccc(c3)[N+](=O)[O-]

Chemical ID:

4190150

Name [?]:

N-(4-benzamido-3-methyl-phenyl)-3-nitro-benzamide

SMILES [?]:

Cc1cc(ccc1NC(=O)c2ccccc2)NC(=O)c3cccc(c3)[N+](=O)[O-]

InChi [?]:

InChI=1/C21H17N3O4/c1-14-12-17(22-21(26)16-8-5-9-18(13-16)24(27)28)10-11-19(14)23-20(25)15-6-3-2-4-7-15/h2-13H,1H3,(H,22,26)(H,23,25)

InChi Info:

AuxInfo=1/1/N:1,14,13,15,22,12,16,21,23,5,6,3,25,2,11,20,4,24,7,9,18,17,8,26,10,19,27,28/E:(3,4)(6,7)(27,28)/CRV:24.5/rA:28nCCCCCCCNCOCCCCCCNCOCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s4;s17;d18;s18;s20;d21;s22;d23;d20s24;s24;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₇N₃O₄
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	6.36473
Area:	604.637
Solvation:	-8.75121
Coulombic:	-54.8783

Bond Count [?]

All:	30
Single:	18
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	375.378
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	3.54
LogP (Chemaxon):	3.93

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