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Chemical ID: 7317694

Chemical ID:

7317694

Name [?]:

N-[2-(benzylcarbamoyl)ethyl]furan-2-carboxamide

SMILES [?]:

c1ccc(cc1)CNC(=O)CCNC(=O)c2ccco2

InChi [?]:

InChI=1/C15H16N2O3/c18-14(17-11-12-5-2-1-3-6-12)8-9-16-15(19)13-7-4-10-20-13/h1-7,10H,8-9,11H2,(H,16,19)(H,17,18)

InChi Info:

AuxInfo=1/1/N:1,2,6,18,3,5,17,11,12,19,7,4,16,9,14,13,8,10,15,20/E:(2,3)(5,6)/rA:20nCCCCCCCNCOCCNCOCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;d14;s14;d16;s17;d18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₆N₂O₃
All Atoms:	36
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	9.12859
Area:	502.483
Solvation:	-3.4335
Coulombic:	-51.5576

Bond Count [?]

All:	21
Single:	14
Double:	7
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	272.299
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	1.17
LogP (Chemaxon):	0.77

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