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Chemical ID: 6168890

Chemical ID:

6168890

Name [?]:

N-benzyl-1-(4-chlorophenyl)-cyclopentane-1-carboxamide

SMILES [?]:

c1ccc(cc1)CNC(=O)C2(CCCC2)c3ccc(cc3)Cl

InChi [?]:

InChI=1/C19H20ClNO/c20-17-10-8-16(9-11-17)19(12-4-5-13-19)18(22)21-14-15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-14H2,(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,2,6,13,14,3,5,17,21,18,20,12,15,7,4,16,19,9,11,22,8,10/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:22nCCCCCCCNCOCCCCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;s11s14;s11;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₀ClNO
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	11.2513
Area:	519.464
Solvation:	-1.73533
Coulombic:	-25.8552

Bond Count [?]

All:	24
Single:	17
Double:	7
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	313.821
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.29
LogP (Chemaxon):	4.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value