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Chemical ID: 3963546

Chemical ID:

3963546

Name [?]:

3-fluoro-N-(4-methyl-5-pentanoylamino-2-pyridyl)-benzamide

SMILES [?]:

CCCCC(=O)Nc1cnc(cc1C)NC(=O)c2cccc(c2)F

InChi [?]:

InChI=1/C18H20FN3O2/c1-3-4-8-17(23)21-15-11-20-16(9-12(15)2)22-18(24)13-6-5-7-14(19)10-13/h5-7,9-11H,3-4,8H2,1-2H3,(H,21,23)(H,20,22,24)

InChi Info:

AuxInfo=1/1/N:1,14,2,3,20,19,21,4,12,23,9,13,18,22,8,11,5,16,24,10,7,15,6,17/rA:24nCCCCCONCCNCCCCNCOCCCCCCF/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;s11;s15;d16;s16;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₀FN₃O₂
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	8.83179
Area:	554.971
Solvation:	-5.04248
Coulombic:	-48.4192

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	329.369
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	3.08
LogP (Chemaxon):	3.19

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