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Chemical ID: 6886255

Chemical ID:

6886255

Name [?]:

3-(2,4-dichlorophenyl)-N-(3,4-dimethoxyphenyl)-prop-2-enamide

SMILES [?]:

COc1ccc(cc1OC)NC(=O)C=Cc2ccc(cc2Cl)Cl

InChi [?]:

InChI=1/C17H15Cl2NO3/c1-22-15-7-6-13(10-16(15)23-2)20-17(21)8-4-11-3-5-12(18)9-14(11)19/h3-10H,1-2H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,10,17,15,18,5,4,14,20,7,16,19,6,21,3,8,12,23,22,11,13,2,9/rA:23nCOCCCCCCOCNCOCCCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₅Cl₂NO₃
All Atoms:	38
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	8.35978
Area:	547.959
Solvation:	-5.33919
Coulombic:	-36.2191

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	6
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	352.211
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	4.07
LogP (Chemaxon):	4.22

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