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Chemical ID: 7365911

Chemical ID:

7365911

Name [?]:

2-chloro-N-[4-(difluoromethoxy)phenyl]-propanamide

SMILES [?]:

CC(C(=O)Nc1ccc(cc1)OC(F)F)Cl

InChi [?]:

InChI=1/C10H10ClF2NO2/c1-6(11)9(15)14-7-2-4-8(5-3-7)16-10(12)13/h2-6,10H,1H3,(H,14,15)

InChi Info:

AuxInfo=1/1/N:1,7,11,8,10,2,6,9,3,13,16,14,15,5,4,12/E:(2,3)(4,5)(12,13)/rA:16cCCCONCCCCCCOCFFCl/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;s13;s2;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₀H₁₀ClF₂NO₂
All Atoms:	26
Heavy Atoms:	16
Chiral Atoms:	1

ZAP Information [?]

Total:	6.19372
Area:	401.52
Solvation:	-3.84428
Coulombic:	-40.1666

Bond Count [?]

All:	16
Single:	12
Double:	4
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	249.641
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	2.44
LogP (Chemaxon):	3.1

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value