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Chemical ID: 4146346

c1ccc(cc1)CCc2ccccc2C(=O)Nc3cccc(c3)[N+](=O)[O-]

Chemical ID:

4146346

Name [?]:

N-(3-nitrophenyl)-2-phenethyl-benzamide

SMILES [?]:

c1ccc(cc1)CCc2ccccc2C(=O)Nc3cccc(c3)[N+](=O)[O-]

InChi [?]:

InChI=1/C21H18N2O3/c24-21(22-18-10-6-11-19(15-18)23(25)26)20-12-5-4-9-17(20)14-13-16-7-2-1-3-8-16/h1-12,15H,13-14H2,(H,22,24)

InChi Info:

AuxInfo=1/1/N:1,2,6,11,12,20,3,5,10,19,21,13,7,8,23,4,9,18,22,14,15,17,24,16,25,26/E:(2,3)(7,8)(25,26)/CRV:23.5/rA:26nCCCCCCCCCCCCCCCONCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₈N₂O₃
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	6.31382
Area:	556.612
Solvation:	-7.60147
Coulombic:	-36.2357

Bond Count [?]

All:	28
Single:	17
Double:	11
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	346.379
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.11
LogP (Chemaxon):	5.53

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

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Chemical Mix	Source	External ID	Descriptor	Value