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Chemical ID: 5863911

Chemical ID:

5863911

Name [?]:

N-(2,4-dichlorophenyl)-3-ethoxy-4-propoxy-benzamide

SMILES [?]:

CCCOc1ccc(cc1OCC)C(=O)Nc2ccc(cc2Cl)Cl

InChi [?]:

InChI=1/C18H19Cl2NO3/c1-3-9-24-16-8-5-12(10-17(16)23-4-2)18(22)21-15-7-6-13(19)11-14(15)20/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,13,2,12,7,19,18,6,3,9,21,8,20,22,17,5,10,14,24,23,16,15,11,4/rA:24nCCCOCCCCCCOCCCONCCCCCCClCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;s8;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₉Cl₂NO₃
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	10.1955
Area:	596.238
Solvation:	-4.7105
Coulombic:	-37.4425

Bond Count [?]

All:	25
Single:	18
Double:	7
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	368.254
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	5.0
LogP (Chemaxon):	4.14

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