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Chemical ID: 7486866

Chemical ID:

7486866

Name [?]:

4-fluoro-N-(4-isobutoxyphenyl)-benzamide

SMILES [?]:

CC(C)COc1ccc(cc1)NC(=O)c2ccc(cc2)F

InChi [?]:

InChI=1/C17H18FNO2/c1-12(2)11-21-16-9-7-15(8-10-16)19-17(20)13-3-5-14(18)6-4-13/h3-10,12H,11H2,1-2H3,(H,19,20)

InChi Info:

AuxInfo=1/1/N:1,3,16,20,17,19,8,10,7,11,4,2,15,18,9,6,13,21,12,14,5/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:21nCCCCOCCCCCCNCOCCCCCCF/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₈FNO₂
All Atoms:	39
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	8.53995
Area:	496.538
Solvation:	-3.8735
Coulombic:	-33.6997

Bond Count [?]

All:	22
Single:	15
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	287.329
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.15
LogP (Chemaxon):	4.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value