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Chemical ID: 7171934

Chemical ID:

7171934

Name [?]:

N-(4-bromophenyl)-4-(difluoromethoxy)-3-methoxy-benzamide

SMILES [?]:

COc1cc(ccc1OC(F)F)C(=O)Nc2ccc(cc2)Br

InChi [?]:

InChI=1/C15H12BrF2NO3/c1-21-13-8-9(2-7-12(13)22-15(17)18)14(20)19-11-5-3-10(16)4-6-11/h2-8,15H,1H3,(H,19,20)

InChi Info:

AuxInfo=1/1/N:1,6,18,20,17,21,7,4,5,19,16,8,3,13,10,22,11,12,15,14,2,9/E:(3,4)(5,6)(17,18)/rA:22nCOCCCCCCOCFFCONCCCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s10;s5;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₂BrF₂NO₃
All Atoms:	34
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	7.35937
Area:	492.288
Solvation:	-4.94782
Coulombic:	-48.5257

Bond Count [?]

All:	23
Single:	16
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	372.162
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	4.07
LogP (Chemaxon):	4.24

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