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Chemical ID: 7350682

Chemical ID:

7350682

Name [?]:

3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]benzamide

SMILES [?]:

CC(c1ccc(cc1)F)NC(=O)c2cc(cc(c2)Cl)Cl

InChi [?]:

InChI=1/C15H12Cl2FNO/c1-9(10-2-4-14(18)5-3-10)19-15(20)11-6-12(16)8-13(17)7-11/h2-9H,1H3,(H,19,20)

InChi Info:

AuxInfo=1/1/N:1,4,8,5,7,14,18,16,2,3,13,15,17,6,11,20,19,9,10,12/E:(2,3)(4,5)(6,7)(12,13)(16,17)/rA:20cCCCCCCCCFNCOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s2;s10;d11;s11;s13;d14;s15;d16;d13s17;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₂Cl₂FNO
All Atoms:	32
Heavy Atoms:	20
Chiral Atoms:	1

ZAP Information [?]

Total:	9.87385
Area:	502.743
Solvation:	-2.69471
Coulombic:	-27.7582

Bond Count [?]

All:	21
Single:	14
Double:	7
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	312.166
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.07
LogP (Chemaxon):	4.31

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