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Chemical ID: 7252894

Chemical ID:

7252894

Name [?]:

2-(3-cyanophenoxy)-N-[(4-fluorophenyl)methyl]acetamide

SMILES [?]:

c1cc(cc(c1)OCC(=O)NCc2ccc(cc2)F)C#N

InChi [?]:

InChI=1/C16H13FN2O2/c17-14-6-4-12(5-7-14)10-19-16(20)11-21-15-3-1-2-13(8-15)9-18/h1-8H,10-11H2,(H,19,20)

InChi Info:

AuxInfo=1/1/N:1,2,6,14,18,15,17,4,20,12,8,13,3,16,5,9,19,21,11,10,7/E:(4,5)(6,7)/rA:21nCCCCCCOCCONCCCCCCCFCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s3;t20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₃FN₂O₂
All Atoms:	34
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	7.41853
Area:	506.701
Solvation:	-5.24899
Coulombic:	-36.1048

Bond Count [?]

All:	22
Single:	14
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	284.285
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	2.7
LogP (Chemaxon):	2.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value