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Chemical ID: 6322810

Chemical ID:

6322810

Name [?]:

N-(4-acetylphenyl)-2,4-dimethoxy-benzamide

SMILES [?]:

CC(=O)c1ccc(cc1)NC(=O)c2ccc(cc2OC)OC

InChi [?]:

InChI=1/C17H17NO4/c1-11(19)12-4-6-13(7-5-12)18-17(20)15-9-8-14(21-2)10-16(15)22-3/h4-10H,1-3H3,(H,18,20)

InChi Info:

AuxInfo=1/1/N:1,22,20,5,9,6,8,15,14,17,2,4,7,16,13,18,11,10,3,12,21,19/E:(4,5)(6,7)/rA:22nCCOCCCCCCNCOCCCCCCOCOC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;s19;s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₇NO₄
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	6.53885
Area:	503.374
Solvation:	-6.04549
Coulombic:	-41.6759

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	299.321
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.66
LogP (Chemaxon):	1.91

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