ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7243616

Chemical ID:

7243616

Name [?]:

2-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-acetamide

SMILES [?]:

CN(Cc1ccc(cc1)OC)C(=O)CCl

InChi [?]:

InChI=1/C11H14ClNO2/c1-13(11(14)7-12)8-9-3-5-10(15-2)6-4-9/h3-6H,7-8H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,11,5,9,6,8,14,3,4,7,12,15,2,13,10/E:(3,4)(5,6)/rA:15nCNCCCCCCCOCCOCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s2;d12;s12;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₄ClNO₂
All Atoms:	29
Heavy Atoms:	15
Chiral Atoms:	None

ZAP Information [?]

Total:	6.50136
Area:	408.143
Solvation:	-3.70221
Coulombic:	-23.5964

Bond Count [?]

All:	15
Single:	11
Double:	4
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.71
LogP (Chemaxon):	None

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