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Chemical ID: 4745190

Chemical ID:

4745190

Name [?]:

N-(4-bromo-2,6-difluoro-phenyl)-2-phenoxy-acetamide

SMILES [?]:

c1ccc(cc1)OCC(=O)Nc2c(cc(cc2F)Br)F

InChi [?]:

InChI=1/C14H10BrF2NO2/c15-9-6-11(16)14(12(17)7-9)18-13(19)8-20-10-4-2-1-3-5-10/h1-7H,8H2,(H,18,19)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,14,16,8,15,4,13,17,9,12,19,20,18,11,10,7/E:(2,3)(4,5)(6,7)(11,12)(16,17)/rA:20nCCCCCCOCCONCCCCCCFBrF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s15;s13;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₀BrF₂NO₂
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	6.13442
Area:	467.728
Solvation:	-5.55878
Coulombic:	-35.0969

Bond Count [?]

All:	21
Single:	14
Double:	7
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	342.136
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.8
LogP (Chemaxon):	2.65

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