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Chemical ID: 6650595

Chemical ID:

6650595

Name [?]:

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

SMILES [?]:

C#CCOc1ccccc1C=NNC(=O)C(=O)Nc2ccc(cc2)F

InChi [?]:

InChI=1/C18H14FN3O3/c1-2-11-25-16-6-4-3-5-13(16)12-20-22-18(24)17(23)21-15-9-7-14(19)8-10-15/h1,3-10,12H,11H2,(H,21,23)(H,22,24)

InChi Info:

AuxInfo=1/1/N:1,2,8,7,9,6,21,23,20,24,3,11,10,22,19,5,16,14,25,12,18,13,17,15,4/E:(7,8)(9,10)/rA:25nCCCOCCCCCCCNNCOCONCCCCCCF/rB:t1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;s13;d14;s14;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₄FN₃O₃
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	9.07451
Area:	561.347
Solvation:	-4.95916
Coulombic:	-57.8616

Bond Count [?]

All:	26
Single:	16
Double:	9
Rotors:	8
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	339.321
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	3.37
LogP (Chemaxon):	3.14

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