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Chemical ID: 6391721

Chemical ID:

6391721

Name [?]:

2-(4-chloro-2-methyl-phenoxy)-N-[(4-chlorophenyl)methyl]propanamide

SMILES [?]:

Cc1cc(ccc1OC(C)C(=O)NCc2ccc(cc2)Cl)Cl

InChi [?]:

InChI=1/C17H17Cl2NO2/c1-11-9-15(19)7-8-16(11)22-12(2)17(21)20-10-13-3-5-14(18)6-4-13/h3-9,12H,10H2,1-2H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,10,16,20,17,19,5,6,3,14,2,9,15,18,4,7,11,21,22,13,12,8/E:(3,4)(5,6)/rA:22cCCCCCCCOCCCONCCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s9;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₇Cl₂NO₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	1

ZAP Information [?]

Total:	10.4567
Area:	560.287
Solvation:	-3.55051
Coulombic:	-31.5314

Bond Count [?]

All:	23
Single:	16
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	338.228
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.82
LogP (Chemaxon):	4.53

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