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Chemical ID: 7297357

Chemical ID:

7297357

Name [?]:

N-(4-bromo-2-fluoro-phenyl)-3-(3,4-dimethoxyphenyl)-propanamide

SMILES [?]:

COc1ccc(cc1OC)CCC(=O)Nc2ccc(cc2F)Br

InChi [?]:

InChI=1/C17H17BrFNO3/c1-22-15-7-3-11(9-16(15)23-2)4-8-17(21)20-14-6-5-12(18)10-13(14)19/h3,5-7,9-10H,4,8H2,1-2H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,10,5,11,18,17,4,12,7,20,6,19,21,16,3,8,13,23,22,15,14,2,9/rA:23nCOCCCCCCOCCCCONCCCCCCFBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₇BrFNO₃
All Atoms:	40
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	7.56905
Area:	542.416
Solvation:	-5.99135
Coulombic:	-38.428

Bond Count [?]

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

Chemical Properties

Molecular Weight:	382.224
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.49
LogP (Chemaxon):	3.39

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