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Chemical ID: 7350944

CCN(CC(=O)Nc1cccc(c1)[N+](=O)[O-])CC(=O)Nc2ccccc2C(F)(F)F

Chemical ID:

7350944

Name [?]:

2-[ethyl-[[2-(trifluoromethyl)phenyl]carbamoylmethyl]amino]-N-(3-nitrophenyl)-acetamide

SMILES [?]:

CCN(CC(=O)Nc1cccc(c1)[N+](=O)[O-])CC(=O)Nc2ccccc2C(F)(F)F

InChi [?]:

InChI=1/C19H19F3N4O4/c1-2-25(11-17(27)23-13-6-5-7-14(10-13)26(29)30)12-18(28)24-16-9-4-3-8-15(16)19(20,21)22/h3-10H,2,11-12H2,1H3,(H,23,27)(H,24,28)

InChi Info:

AuxInfo=1/1/N:1,2,24,23,10,9,11,25,22,13,4,17,8,12,26,21,5,18,27,28,29,30,7,20,3,14,6,19,15,16/E:(20,21,22)(29,30)/CRV:26.5/rA:30cCCNCCONCCCCCCN+OO-CCONCCCCCCCFFF/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s12;d14;s14;s3;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s26;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₉F₃N₄O₄
All Atoms:	49
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	4.82881
Area:	625.177
Solvation:	-10.8006
Coulombic:	-74.9689

Bond Count [?]

All:	31
Single:	22
Double:	9
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	424.374
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	2.66
LogP (Chemaxon):	3.5

Name Annotations

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

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