Chemical ID: 4410097

COc1ccc(cc1Br)C(=O)Nc2ccc(cc2F)F
Chemical ID:
4410097
Name [?]:
3-bromo-N-(2,4-difluorophenyl)-4-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1Br)C(=O)Nc2ccc(cc2F)F
InChi [?]:
InChI=1/C14H10BrF2NO2/c1-20-13-5-2-8(6-10(13)15)14(19)18-12-4-3-9(16)7-11(12)17/h2-7H,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,5,15,14,4,7,17,6,16,8,18,13,3,10,9,20,19,12,11,2/rA:20nCOCCCCCCBrCONCCCCCCFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10BrF2NO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.02442
Area:456.171
Solvation:-4.37986
Coulombic:-35.997
Bond Count [?]
All:21
Single:14
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:342.136
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.03
LogP (Chemaxon):3.27

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue