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Chemical ID: 6036981

Chemical ID:

6036981

Name [?]:

N-[(4-fluorophenyl)methyl]-N-[2-(2-methoxyethylcarbamoyl)ethyl]furan-3-carboxamide

SMILES [?]:

COCCNC(=O)CCN(Cc1ccc(cc1)F)C(=O)c2ccoc2

InChi [?]:

InChI=1/C18H21FN2O4/c1-24-11-8-20-17(22)6-9-21(18(23)15-7-10-25-13-15)12-14-2-4-16(19)5-3-14/h2-5,7,10,13H,6,8-9,11-12H2,1H3,(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,13,17,14,16,8,22,4,9,23,3,11,25,12,21,15,6,19,18,5,10,7,20,2,24/E:(2,3)(4,5)/rA:25nCOCCNCOCCNCCCCCCCFCOCCCOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s10;d19;s19;s21;d22;s23;d21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₁FN₂O₄
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	8.00944
Area:	567.988
Solvation:	-6.19027
Coulombic:	-54.9902

Bond Count [?]

All:	26
Single:	19
Double:	7
Rotors:	11
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	348.369
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	1.19
LogP (Chemaxon):	1.23

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value