Chemical ID: 4198751

Cc1cc(cc(c1NC(=O)c2cccc(c2)F)C)Br
Chemical ID:
4198751
Name [?]:
N-(4-bromo-2,6-dimethyl-phenyl)-3-fluoro-benzamide
SMILES [?]:
Cc1cc(cc(c1NC(=O)c2cccc(c2)F)C)Br
InChi [?]:
InChI=1/C15H13BrFNO/c1-9-6-12(16)7-10(2)14(9)18-15(19)11-4-3-5-13(17)8-11/h3-8H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,18,13,12,14,3,5,16,2,6,11,4,15,7,9,19,17,8,10/E:(1,2)(6,7)(9,10)/rA:19nCCCCCCCNCOCCCCCCFCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s6;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13BrFNO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.53571
Area:448.934
Solvation:-2.68763
Coulombic:-25.8392
Bond Count [?]
All:20
Single:13
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:322.172
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.4
LogP (Chemaxon):3.67

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Descriptor Annotations

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