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Chemical ID: 5432367

Chemical ID:

5432367

Name [?]:

N-[(2,4-dichlorophenyl)methyl]cyclobutanecarboxamide

SMILES [?]:

c1cc(c(cc1Cl)Cl)CNC(=O)C2CCC2

InChi [?]:

InChI=1/C12H13Cl2NO/c13-10-5-4-9(11(14)6-10)7-15-12(16)8-2-1-3-8/h4-6,8H,1-3,7H2,(H,15,16)

InChi Info:

AuxInfo=1/1/N:15,14,16,2,1,5,9,13,3,6,4,11,7,8,10,12/E:(2,3)/rA:16nCCCCCCClClCNCOCCCC/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;s10;d11;s11;s13;s14;s13s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	9.28788
Area:	439.098
Solvation:	-1.68957
Coulombic:	-22.6873

Bond Count [?]

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

Chemical Properties

Molecular Weight:	258.143
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	3.44
LogP (Chemaxon):	3.11

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