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Chemical ID: 4382997

Chemical ID:

4382997

Name [?]:

methyl 4-[(2-chlorophenyl)carbamoylmethoxy]benzoate

SMILES [?]:

COC(=O)c1ccc(cc1)OCC(=O)Nc2ccccc2Cl

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,19,18,20,17,6,10,7,9,12,5,8,21,16,13,3,22,15,14,4,2,11/E:(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;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	8.66219
Area:	529.994
Solvation:	-4.58765
Coulombic:	-48.9228

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):	2.29

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