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Chemical ID: 6883612

Chemical ID:

6883612

Name [?]:

(3-chloro-4-methyl-phenyl)carbamoylmethyl 4-methoxybenzoate

SMILES [?]:

Cc1ccc(cc1Cl)NC(=O)COC(=O)c2ccc(cc2)OC

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,23,3,17,21,4,18,20,6,12,2,16,5,19,7,10,14,8,9,11,15,22,13/E:(4,5)(7,8)/rA:23nCCCCCCCClNCOCOCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₆ClNO₄
All Atoms:	39
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	9.33869
Area:	550.828
Solvation:	-4.43201
Coulombic:	-48.3888

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:	3.46
LogP (Chemaxon):	3.41

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