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Chemical ID: 4211414

Chemical ID:

4211414

Name [?]:

methyl 4-[(4-chlorophenyl)carbamoylmethoxy]benzoate

SMILES [?]:

COC(=O)c1ccc(cc1)OCC(=O)Nc2ccc(cc2)Cl

InChi [?]:

InChI=1/C16H14ClNO4/c1-21-16(20)11-2-8-14(9-3-11)22-10-15(19)18-13-6-4-12(17)5-7-13/h2-9H,10H2,1H3,(H,18,19)

InChi Info:

AuxInfo=1/1/N:1,6,10,18,20,17,21,7,9,12,5,19,16,8,13,3,22,15,14,4,2,11/E:(2,3)(4,5)(6,7)(8,9)/rA:22nCOCOCCCCCCOCCONCCCCCCCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₄ClNO₄
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	8.51095
Area:	537.157
Solvation:	-4.91798
Coulombic:	-48.1248

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	319.739
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.23
LogP (Chemaxon):	2.94

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