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Chemical ID: 7270038

Chemical ID:

7270038

Name [?]:

2-(4-cyanophenoxy)-N-[(2-fluorophenyl)methyl]-N-methyl-acetamide

SMILES [?]:

CN(Cc1ccccc1F)C(=O)COc2ccc(cc2)C#N

InChi [?]:

InChI=1/C17H15FN2O2/c1-20(11-14-4-2-3-5-16(14)18)17(21)12-22-15-8-6-13(10-19)7-9-15/h2-9H,11-12H2,1H3

InChi Info:

AuxInfo=1/0/N:1,6,7,5,8,17,19,16,20,21,3,13,18,4,15,9,11,10,22,2,12,14/E:(6,7)(8,9)/rA:22nCNCCCCCCCFCOCOCCCCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s2;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₅FN₂O₂
All Atoms:	37
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	6.41315
Area:	505.46
Solvation:	-6.22335
Coulombic:	-30.3988

Bond Count [?]

All:	23
Single:	15
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	298.312
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	2.84
LogP (Chemaxon):	2.7

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value