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Chemical ID: 5892855

c1cc(ccc1CNC(=O)c2cc(ccc2N3CCCC3)NC(=O)C4CCCCC4)F

Chemical ID:

5892855

Name [?]:

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

SMILES [?]:

c1cc(ccc1CNC(=O)c2cc(ccc2N3CCCC3)NC(=O)C4CCCCC4)F

InChi [?]:

InChI=1/C25H30FN3O2/c26-20-10-8-18(9-11-20)17-27-25(31)22-16-21(12-13-23(22)29-14-4-5-15-29)28-24(30)19-6-2-1-3-7-19/h8-13,16,19H,1-7,14-15,17H2,(H,27,31)(H,28,30)

InChi Info:

AuxInfo=1/1/N:28,27,29,19,20,26,30,1,5,2,4,14,15,18,21,12,7,6,25,3,13,11,16,23,9,31,8,22,17,24,10/E:(2,3)(4,5)(6,7)(8,9)(10,11)(14,15)/rA:31nCCCCCCCNCOCCCCCCNCCCCNCOCCCCCCF/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;s25s29;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₀FN₃O₂
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	11.8724
Area:	662.166
Solvation:	-4.68172
Coulombic:	-52.3018

Bond Count [?]

All:	34
Single:	26
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	423.523
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.18
LogP (Chemaxon):	4.65

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