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Chemical ID: 3948675

c1cc(ccc1C(=O)C2CCN(CC2)CC(=O)Nc3ccc(cc3)F)Cl

Chemical ID:

3948675

Name [?]:

2-[4-(4-chlorobenzoyl)-1-piperidyl]-N-(4-fluorophenyl)-acetamide

SMILES [?]:

c1cc(ccc1C(=O)C2CCN(CC2)CC(=O)Nc3ccc(cc3)F)Cl

InChi [?]:

InChI=1/C20H20ClFN2O2/c21-16-3-1-14(2-4-16)20(26)15-9-11-24(12-10-15)13-19(25)23-18-7-5-17(22)6-8-18/h1-8,15H,9-13H2,(H,23,25)

InChi Info:

AuxInfo=1/1/N:1,5,2,4,21,23,20,24,10,14,11,13,15,6,9,3,22,19,16,7,26,25,18,12,17,8/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:26nCCCCCCCOCCCNCCCCONCCCCCCFCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s9s13;s12;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₀ClFN₂O₂
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	9.59181
Area:	586.463
Solvation:	-5.06976
Coulombic:	-37.3986

Bond Count [?]

All:	28
Single:	20
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	374.836
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.44
LogP (Chemaxon):	3.47

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

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

Chemical Mix	Source	External ID	Descriptor	Value