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Chemical ID: 6131016

Chemical ID:

6131016

Name [?]:

N-(2-bromophenyl)-4-(difluoromethoxy)benzamide

SMILES [?]:

c1ccc(c(c1)NC(=O)c2ccc(cc2)OC(F)F)Br

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:2,1,3,6,11,15,12,14,10,13,4,5,8,17,20,18,19,7,9,16/E:(5,6)(7,8)(16,17)/rA:20nCCCCCCNCOCCCCCCOCFFBr/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;s16;s17;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	8.00143
Area:	450.729
Solvation:	-3.2668
Coulombic:	-42.6745

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:	4.42
LogP (Chemaxon):	3.85

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