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Chemical ID: 6036978

Chemical ID:

6036978

Name [?]:

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

SMILES [?]:

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

InChi [?]:

InChI=1/C18H21FN2O3/c1-2-9-20-17(22)7-10-21(18(23)15-8-11-24-13-15)12-14-3-5-16(19)6-4-14/h3-6,8,11,13H,2,7,9-10,12H2,1H3,(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,2,12,16,13,15,7,21,3,8,22,10,24,11,20,14,5,18,17,4,9,6,19,23/E:(3,4)(5,6)/rA:24nCCCNCOCCNCCCCCCCFCOCCCOC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s9;d18;s18;s20;d21;s22;d20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₁FN₂O₃
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	9.09115
Area:	547.61
Solvation:	-4.5991
Coulombic:	-48.0116

Bond Count [?]

All:	25
Single:	18
Double:	7
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	332.369
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	2.16
LogP (Chemaxon):	2.21

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