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Chemical ID: 4465585

Chemical ID:

4465585

Name [?]:

N-(3-chloro-4-methyl-phenyl)-2-(4-formyl-2-methoxy-phenoxy)-acetamide

SMILES [?]:

Cc1ccc(cc1Cl)NC(=O)COc2ccc(cc2OC)C=O

InChi [?]:

InChI=1/C17H16ClNO4/c1-11-3-5-13(8-14(11)18)19-17(21)10-23-15-6-4-12(9-20)7-16(15)22-2/h3-9H,10H2,1-2H3,(H,19,21)

InChi Info:

AuxInfo=1/1/N:1,21,3,16,4,15,18,6,22,12,2,17,5,7,14,19,10,8,9,23,11,20,13/rA:23nCCCCCCCClNCOCOCCCCCCOCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s20;s17;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₆ClNO₄
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	5.97692
Area:	548.48
Solvation:	-7.73508
Coulombic:	-40.9279

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	333.766
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.87
LogP (Chemaxon):	3.28

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