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Chemical ID: 7260517

Chemical ID:

7260517

Name [?]:

N-(3-cyanophenyl)-3,5-dimethoxy-4-methyl-benzamide

SMILES [?]:

Cc1c(cc(cc1OC)C(=O)Nc2cccc(c2)C#N)OC

InChi [?]:

InChI=1/C17H16N2O3/c1-11-15(21-2)8-13(9-16(11)22-3)17(20)19-14-6-4-5-12(7-14)10-18/h4-9H,1-3H3,(H,19,20)

InChi Info:

AuxInfo=1/1/N:1,9,22,15,16,14,18,6,4,19,2,17,5,13,7,3,10,20,12,11,8,21/E:(2,3)(8,9)(15,16)(21,22)/rA:22nCCCCCCCOCCONCCCCCCCNOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s5;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;t19;s3;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₆N₂O₃
All Atoms:	38
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	8.03194
Area:	509.777
Solvation:	-4.71249
Coulombic:	-38.416

Bond Count [?]

All:	23
Single:	15
Double:	7
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	296.321
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.77
LogP (Chemaxon):	2.88

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value