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Chemical ID: 7270024

Cc1ccc(cc1)CNC(=O)c2ccc(c(c2)[N+](=O)[O-])NC3CC3

Chemical ID:

7270024

Name [?]:

4-cyclopropylamino-3-nitro-N-(p-tolylmethyl)benzamide

SMILES [?]:

Cc1ccc(cc1)CNC(=O)c2ccc(c(c2)[N+](=O)[O-])NC3CC3

InChi [?]:

InChI=1/C18H19N3O3/c1-12-2-4-13(5-3-12)11-19-18(22)14-6-9-16(20-15-7-8-15)17(10-14)21(23)24/h2-6,9-10,15,20H,7-8,11H2,1H3,(H,19,22)

InChi Info:

AuxInfo=1/1/N:1,3,7,4,6,13,23,24,14,17,8,2,5,12,22,15,16,10,9,21,18,11,19,20/E:(2,3)(4,5)(7,8)(23,24)/CRV:21.5/rA:24nCCCCCCCCNCOCCCCCCN+OO-NCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;d18;s18;s15;s21;s22;s22s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₉N₃O₃
All Atoms:	43
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	6.7706
Area:	562.356
Solvation:	-7.28829
Coulombic:	-47.1439

Bond Count [?]

All:	26
Single:	18
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	325.362
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	4.18
LogP (Chemaxon):	3.76

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