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Chemical ID: 5892856

c1cc(ccc1CNC(=O)c2cc(ccc2N3CCCC3)NC(=O)CCC4CCCC4)F

Chemical ID:

5892856

Name [?]:

5-(3-cyclopentylpropanoylamino)-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-yl-benzamide

SMILES [?]:

c1cc(ccc1CNC(=O)c2cc(ccc2N3CCCC3)NC(=O)CCC4CCCC4)F

InChi [?]:

InChI=1/C26H32FN3O2/c27-21-10-7-20(8-11-21)18-28-26(32)23-17-22(12-13-24(23)30-15-3-4-16-30)29-25(31)14-9-19-5-1-2-6-19/h7-8,10-13,17,19H,1-6,9,14-16,18H2,(H,28,32)(H,29,31)

InChi Info:

AuxInfo=1/1/N:29,30,19,20,28,31,1,5,26,2,4,14,15,25,18,21,12,7,27,6,3,13,11,16,23,9,32,8,22,17,24,10/E:(1,2)(3,4)(5,6)(7,8)(10,11)(15,16)/rA:32nCCCCCCCNCOCCCCCCNCCCCNCOCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s17;s18;s19;s17s20;s13;s22;d23;s23;s25;s26;s27;s28;s29;s27s30;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₂FN₃O₂
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	12.6348
Area:	697.505
Solvation:	-4.8028
Coulombic:	-52.0884

Bond Count [?]

All:	35
Single:	27
Double:	8
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	437.55
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.96
LogP (Chemaxon):	4.82

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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