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Chemical ID: 7266470

c1ccc(cc1)C(=O)Nc2ccc(cc2)OCC(=O)Nc3cccc(c3)F

Chemical ID:

7266470

Name [?]:

N-[4-[(3-fluorophenyl)carbamoylmethoxy]phenyl]benzamide

SMILES [?]:

c1ccc(cc1)C(=O)Nc2ccc(cc2)OCC(=O)Nc3cccc(c3)F

InChi [?]:

InChI=1/C21H17FN2O3/c22-16-7-4-8-18(13-16)23-20(25)14-27-19-11-9-17(10-12-19)24-21(26)15-5-2-1-3-6-15/h1-13H,14H2,(H,23,25)(H,24,26)

InChi Info:

AuxInfo=1/1/N:1,2,6,23,3,5,24,22,11,15,12,14,26,17,4,25,10,21,13,18,7,27,20,9,19,8,16/E:(2,3)(5,6)(9,10)(11,12)/rA:27nCCCCCCCONCCCCCCOCCONCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₇FN₂O₃
All Atoms:	44
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	8.85348
Area:	588.514
Solvation:	-5.85937
Coulombic:	-53.9366

Bond Count [?]

All:	29
Single:	18
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	364.37
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	3.81
LogP (Chemaxon):	4.07

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