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Chemical ID: 7531989

Cc1ccc(cc1NC(=O)c2ccccc2CCc3ccccc3)[N+](=O)[O-]

Chemical ID:

7531989

Name [?]:

N-(2-methyl-5-nitro-phenyl)-2-phenethyl-benzamide

SMILES [?]:

Cc1ccc(cc1NC(=O)c2ccccc2CCc3ccccc3)[N+](=O)[O-]

InChi [?]:

InChI=1/C22H20N2O3/c1-16-11-14-19(24(26)27)15-21(16)23-22(25)20-10-6-5-9-18(20)13-12-17-7-3-2-4-8-17/h2-11,14-15H,12-13H2,1H3,(H,23,25)

InChi Info:

AuxInfo=1/1/N:1,22,21,23,14,13,20,24,15,12,3,18,17,4,6,2,19,16,5,11,7,9,8,25,10,26,27/E:(3,4)(7,8)(26,27)/CRV:24.5/rA:27nCCCCCCCNCOCCCCCCCCCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s17;s18;s19;d20;s21;d22;d19s23;s5;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₀N₂O₃
All Atoms:	47
Heavy Atoms:	27
Chiral Atoms:	None

ZAP Information [?]

Total:	6.33371
Area:	548.227
Solvation:	-7.37197
Coulombic:	-36.2045

Bond Count [?]

All:	29
Single:	18
Double:	11
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.33
LogP (Chemaxon):	None

Name Annotations

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

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