Chemical ID: 4279702

CC(C)N(C(C)C)C(=O)c1ccc(cc1)F
Chemical ID:
4279702
Name [?]:
4-fluoro-N,N-diisopropyl-benzamide
SMILES [?]:
CC(C)N(C(C)C)C(=O)c1ccc(cc1)F
InChi [?]:
InChI=1/C13H18FNO/c1-9(2)15(10(3)4)13(16)11-5-7-12(14)8-6-11/h5-10H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,6,7,11,15,12,14,2,5,10,13,8,16,4,9/E:(1,2,3,4)(5,6)(7,8)(9,10)/rA:16nCCCNCCCCOCCCCCCF/rB:s1;s2;s2;s4;s5;s5;s4;d8;s8;s10;d11;s12;d13;d10s14;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18FNO
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.3891
Area:389.806
Solvation:-2.35606
Coulombic:-22.1082
Bond Count [?]
All:16
Single:12
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:223.287
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.5
LogP (Chemaxon):2.84

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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