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Chemical ID: 3896910

Chemical ID:

3896910

Name [?]:

3-methyl-N-(4-phenoxyphenyl)-benzofuran-2-carboxamide

SMILES [?]:

Cc1c2ccccc2oc1C(=O)Nc3ccc(cc3)Oc4ccccc4

InChi [?]:

InChI=1/C22H17NO3/c1-15-19-9-5-6-10-20(19)26-21(15)22(24)23-16-11-13-18(14-12-16)25-17-7-3-2-4-8-17/h2-14H,1H3,(H,23,24)

InChi Info:

AuxInfo=1/1/N:1,24,23,25,5,6,22,26,4,7,15,19,16,18,2,14,21,17,3,8,10,11,13,12,20,9/E:(3,4)(7,8)(11,12)(13,14)/rA:26nCCCCCCCCOCCONCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₇NO₃
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	11.1524
Area:	554.14
Solvation:	-2.70104
Coulombic:	-41.0733

Bond Count [?]

All:	29
Single:	18
Double:	11
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	343.375
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.67
LogP (Chemaxon):	5.34

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