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Chemical ID: 4746071

Chemical ID:

4746071

Name [?]:

4-chloro-N-(2,6-dibromo-4-methyl-phenyl)-benzamide

SMILES [?]:

Cc1cc(c(c(c1)Br)NC(=O)c2ccc(cc2)Cl)Br

InChi [?]:

InChI=1/C14H10Br2ClNO/c1-8-6-11(15)13(12(16)7-8)18-14(19)9-2-4-10(17)5-3-9/h2-7H,1H3,(H,18,19)

InChi Info:

AuxInfo=1/1/N:1,13,17,14,16,3,7,2,12,15,4,6,5,10,19,8,18,9,11/E:(2,3)(4,5)(6,7)(11,12)(15,16)/rA:19nCCCCCCCBrNCOCCCCCCClBr/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₀Br₂ClNO
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	10.3639
Area:	484.923
Solvation:	-1.75917
Coulombic:	-23.5931

Bond Count [?]

All:	20
Single:	13
Double:	7
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	403.496
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.65
LogP (Chemaxon):	4.37

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