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Chemical ID: 4410732

Chemical ID:

4410732

Name [?]:

3-chloro-N-(2,4-dimethoxyphenyl)-4-methoxy-benzamide

SMILES [?]:

COc1ccc(c(c1)OC)NC(=O)c2ccc(c(c2)Cl)OC

InChi [?]:

InChI=1/C16H16ClNO4/c1-20-11-5-6-13(15(9-11)22-3)18-16(19)10-4-7-14(21-2)12(17)8-10/h4-9H,1-3H3,(H,18,19)

InChi Info:

AuxInfo=1/1/N:1,22,10,15,4,5,16,19,8,14,3,18,6,17,7,12,20,11,13,2,21,9/rA:22nCOCCCCCCOCNCOCCCCCCClOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;s17;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₆ClNO₄
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	7.80369
Area:	518.734
Solvation:	-5.16467
Coulombic:	-43.7474

Bond Count [?]

All:	23
Single:	16
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	321.755
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.36
LogP (Chemaxon):	2.86

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