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Chemical ID: 6899282

CC(C(=O)Nc1ccc(cc1)Oc2ccccc2)OC(=O)c3ccccc3F

Chemical ID:

6899282

Name [?]:

1-[(4-phenoxyphenyl)carbamoyl]ethyl 2-fluorobenzoate

SMILES [?]:

CC(C(=O)Nc1ccc(cc1)Oc2ccccc2)OC(=O)c3ccccc3F

InChi [?]:

InChI=1/C22H18FNO4/c1-15(27-22(26)19-9-5-6-10-20(19)23)21(25)24-16-11-13-18(14-12-16)28-17-7-3-2-4-8-17/h2-15H,1H3,(H,24,25)

InChi Info:

AuxInfo=1/1/N:1,16,15,17,24,25,14,18,23,26,7,11,8,10,2,6,13,9,22,27,3,20,28,5,4,21,19,12/E:(3,4)(7,8)(11,12)(13,14)/rA:28cCCCONCCCCCCOCCCCCCOCOCCCCCCF/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;d14;s15;d16;d13s17;s2;s19;d20;s20;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₈FNO₄
All Atoms:	46
Heavy Atoms:	28
Chiral Atoms:	1

ZAP Information [?]

Total:	10.0828
Area:	599.041
Solvation:	-4.89319
Coulombic:	-53.7442

Bond Count [?]

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

Chemical Properties

Molecular Weight:	379.381
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	4.86
LogP (Chemaxon):	4.78

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