Chemical ID: 6379768

CCCCCNC(=O)c1cccc(c1)Br
Chemical ID:
6379768
Name [?]:
3-bromo-N-pentyl-benzamide
SMILES [?]:
CCCCCNC(=O)c1cccc(c1)Br
InChi [?]:
InChI=1/C12H16BrNO/c1-2-3-4-8-14-12(15)10-6-5-7-11(13)9-10/h5-7,9H,2-4,8H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,11,10,12,5,14,9,13,7,15,6,8/rA:15nCCCCCNCOCCCCCCBr/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16BrNO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:9.47118
Area:435.424
Solvation:-1.41442
Coulombic:-24.0924
Bond Count [?]
All:15
Single:11
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:270.166
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.14
LogP (Chemaxon):3.34

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