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Chemical ID: 7298072

c1ccc(cc1)Oc2ccc(cc2)NC(=O)COC(=O)c3c(cccc3F)F

Chemical ID:

7298072

Name [?]:

(4-phenoxyphenyl)carbamoylmethyl 2,6-difluorobenzoate

SMILES [?]:

c1ccc(cc1)Oc2ccc(cc2)NC(=O)COC(=O)c3c(cccc3F)F

InChi [?]:

InChI=1/C21H15F2NO4/c22-17-7-4-8-18(23)20(17)21(26)27-13-19(25)24-14-9-11-16(12-10-14)28-15-5-2-1-3-6-15/h1-12H,13H2,(H,24,25)

InChi Info:

AuxInfo=1/1/N:1,2,6,24,3,5,23,25,10,12,9,13,17,11,4,8,22,26,15,21,19,28,27,14,16,20,18,7/E:(2,3)(5,6)(7,8)(9,10)(11,12)(17,18)(22,23)/rA:28nCCCCCCOCCCCCCNCOCOCOCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s26;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₅F₂NO₄
All Atoms:	43
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	8.85055
Area:	592.934
Solvation:	-5.97281
Coulombic:	-54.8852

Bond Count [?]

All:	30
Single:	19
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	383.345
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	4.5
LogP (Chemaxon):	4.38

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value