Chemical ID: 4275256

c1cc(oc1)C(=O)Nc2ccc(cc2)Br
Chemical ID:
4275256
Name [?]:
N-(4-bromophenyl)furan-2-carboxamide
SMILES [?]:
c1cc(oc1)C(=O)Nc2ccc(cc2)Br
InChi [?]:
InChI=1/C11H8BrNO2/c12-8-3-5-9(6-4-8)13-11(14)10-2-1-7-15-10/h1-7H,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,11,13,10,14,5,12,9,3,6,15,8,7,4/E:(3,4)(5,6)/rA:15nCCCOCCONCCCCCCBr/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H8BrNO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.77065
Area:390.014
Solvation:-1.97969
Coulombic:-30.7298
Bond Count [?]
All:16
Single:10
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:266.091
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.49
LogP (Chemaxon):2.84

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