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Chemical ID: 6652241

c1ccc(c(c1)C(=O)N2CCOCC2)NC(=O)C(=O)NN=Cc3ccc(cc3)F

Chemical ID:

6652241

Name [?]:

N'-[(4-fluorophenyl)methyleneamino]-N-(2-morpholinocarbonylphenyl)-oxamide

SMILES [?]:

c1ccc(c(c1)C(=O)N2CCOCC2)NC(=O)C(=O)NN=Cc3ccc(cc3)F

InChi [?]:

InChI=1/C20H19FN4O4/c21-15-7-5-14(6-8-15)13-22-24-19(27)18(26)23-17-4-2-1-3-16(17)20(28)25-9-11-29-12-10-25/h1-8,13H,9-12H2,(H,23,26)(H,24,27)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,24,28,25,27,10,14,11,13,22,23,26,5,4,16,18,7,29,21,15,20,9,17,19,8,12/E:(5,6)(7,8)(9,10)(11,12)/rA:29nCCCCCCCONCCOCCNCOCONNCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s9s13;s4;s15;d16;s16;d18;s18;s20;w21;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₉FN₄O₄
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	9.0631
Area:	599.726
Solvation:	-5.93006
Coulombic:	-72.7697

Bond Count [?]

All:	31
Single:	21
Double:	10
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	398.388
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	2.76
LogP (Chemaxon):	2.57

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