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Chemical ID: 6154749

Cc1cc(cc(c1Cl)C)OCCCC(=O)Nc2ccc(c(c2)[N+](=O)[O-])Cl

Chemical ID:

6154749

Name [?]:

4-(4-chloro-3,5-dimethyl-phenoxy)-N-(4-chloro-3-nitro-phenyl)-butanamide

SMILES [?]:

Cc1cc(cc(c1Cl)C)OCCCC(=O)Nc2ccc(c(c2)[N+](=O)[O-])Cl

InChi [?]:

InChI=1/C18H18Cl2N2O4/c1-11-8-14(9-12(2)18(11)20)26-7-3-4-17(23)21-13-5-6-15(19)16(10-13)22(24)25/h5-6,8-10H,3-4,7H2,1-2H3,(H,21,23)

InChi Info:

AuxInfo=1/1/N:1,9,12,13,18,19,11,3,5,22,2,6,17,4,20,21,14,7,26,8,16,23,15,24,25,10/E:(1,2)(8,9)(11,12)(24,25)/CRV:22.5/rA:26nCCCCCCCClCOCCCCONCCCCCCN+OO-Cl/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s4;s10;s11;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;d23;s23;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₈Cl₂N₂O₄
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	6.19031
Area:	616.615
Solvation:	-9.22507
Coulombic:	-38.2109

Bond Count [?]

All:	27
Single:	19
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	397.252
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	4.66
LogP (Chemaxon):	5.23

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