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Chemical ID: 7296017

Chemical ID:

7296017

Name [?]:

N-(4-bromo-3-methyl-phenyl)-3-(3,4-dimethoxyphenyl)-propanamide

SMILES [?]:

Cc1cc(ccc1Br)NC(=O)CCc2ccc(c(c2)OC)OC

InChi [?]:

InChI=1/C18H20BrNO3/c1-12-10-14(6-7-15(12)19)20-18(21)9-5-13-4-8-16(22-2)17(11-13)23-3/h4,6-8,10-11H,5,9H2,1-3H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,23,21,15,13,5,6,16,12,3,19,2,14,4,7,17,18,10,8,9,11,22,20/rA:23nCCCCCCCBrNCOCCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s18;s20;s17;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₀BrNO₃
All Atoms:	43
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	8.30484
Area:	555.128
Solvation:	-5.57335
Coulombic:	-34.4601

Bond Count [?]

All:	24
Single:	17
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	378.26
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.56
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