Chemical ID: 4382594

CCCC(C)C(=O)Nc1ccc(cc1F)F
Chemical ID:
4382594
Name [?]:
N-(2,4-difluorophenyl)-2-methyl-pentanamide
SMILES [?]:
CCCC(C)C(=O)Nc1ccc(cc1F)F
InChi [?]:
InChI=1/C12H15F2NO/c1-3-4-8(2)12(16)15-11-6-5-9(13)7-10(11)14/h5-8H,3-4H2,1-2H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,5,2,3,11,10,13,4,12,14,9,6,16,15,8,7/rA:16cCCCCCCONCCCCCCFF/rB:s1;s2;s3;s4;s4;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;s12;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15F2NO
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:7.21581
Area:401.675
Solvation:-2.82606
Coulombic:-28.449
Bond Count [?]
All:16
Single:12
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:227.25
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.28
LogP (Chemaxon):2.98

Name Annotations

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Descriptor Annotations

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