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Chemical ID: 6399148

Chemical ID:

6399148

Name [?]:

N-(2,5-dichlorophenyl)cyclopentanecarboxamide

SMILES [?]:

c1cc(c(cc1Cl)NC(=O)C2CCCC2)Cl

InChi [?]:

InChI=1/C12H13Cl2NO/c13-9-5-6-10(14)11(7-9)15-12(16)8-3-1-2-4-8/h5-8H,1-4H2,(H,15,16)

InChi Info:

AuxInfo=1/1/N:13,14,12,15,1,2,5,11,6,3,4,9,7,16,8,10/E:(1,2)(3,4)/rA:16nCCCCCCClNCOCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;d9;s9;s11;s12;s13;s11s14;s3;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₃Cl₂NO
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	9.2688
Area:	427.732
Solvation:	-1.42451
Coulombic:	-22.3494

Bond Count [?]

All:	17
Single:	13
Double:	4
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	258.143
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	3.86
LogP (Chemaxon):	3.24

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

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Chemical Mix	Source	External ID	Descriptor	Value