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Chemical ID: 7269546

Chemical ID:

7269546

Name [?]:

4-acetamido-N-(5-fluoro-2-methyl-phenyl)-benzamide

SMILES [?]:

Cc1ccc(cc1NC(=O)c2ccc(cc2)NC(=O)C)F

InChi [?]:

InChI=1/C16H15FN2O2/c1-10-3-6-13(17)9-15(10)19-16(21)12-4-7-14(8-5-12)18-11(2)20/h3-9H,1-2H3,(H,18,20)(H,19,21)

InChi Info:

AuxInfo=1/1/N:1,20,3,12,16,4,13,15,6,2,18,11,5,14,7,9,21,17,8,19,10/E:(4,5)(7,8)/rA:21nCCCCCCCNCOCCCCCCNCOCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;d18;s18;s5;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₅FN₂O₂
All Atoms:	36
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	8.19405
Area:	478.506
Solvation:	-3.76861
Coulombic:	-44.395

Bond Count [?]

All:	22
Single:	14
Double:	8
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	286.301
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	2.63
LogP (Chemaxon):	2.38

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value